#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_I
_shelx_title ' ABS20 in P6(3)/mmc'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      724.35
_exptl_crystal_F_000      1064.00
_reflns_d_resolution_high  0.8009
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 '-x, -y, z+1/2'
 'y, -x+y, z+1/2'
 'x-y, x, z+1/2'
 'y, x, -z'
 'x-y, -y, -z'
 '-x, -x+y, -z'
 '-y, -x, -z+1/2'
 '-x+y, y, -z+1/2'
 'x, x-y, -z+1/2'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 'x, y, -z-1/2'
 '-y, x-y, -z-1/2'
 '-x+y, -x, -z-1/2'
 '-y, -x, z'
 '-x+y, y, z'
 'x, x-y, z'
 'y, x, z-1/2'
 'x-y, -y, z-1/2'
 '-x, -x+y, z-1/2'
 
_cell_length_a     5.9787
_cell_length_b     5.9787
_cell_length_c    24.7963
_cell_angle_alpha  90.000
_cell_angle_beta   90.000
_cell_angle_gamma 120.000
 
_shelx_F_squared_multiplier     1.000
 
loop_
 _refln_index_h
 _refln_index_k
 _refln_index_l
 _refln_F_squared_calc
 _refln_F_squared_meas
 _refln_F_squared_sigma
 _refln_observed_status
   0   1   0      610.21      846.47     85.95 o
  -1   2   0   524679.38   382484.69  18987.57 o
   0   2   0     2244.30     3598.92    238.29 o
  -1   3   0      350.52      860.55     62.89 o
   0   3   0   353761.88   332773.13  15607.35 o
  -2   4   0   389861.16   343785.47  16159.92 o
  -1   4   0     1010.60     2056.04    123.71 o
   0   4   0      207.81      206.94     69.41 o
  -2   5   0     1634.74     1534.23    145.53 o
  -1   5   0   219176.75   221341.44   9422.25 o
   0   5   0      491.56      351.39    118.88 o
  -3   6   0   183153.14   190176.42  19246.33 o
  -2   6   0      329.58      458.50    107.90 o
  -1   6   0      691.50     1238.31    169.77 o
   0   6   0   157266.17   154706.33   9023.16 o
  -3   7   0      615.00      643.23    163.34 o
  -2   7   0   127583.32   139153.69  10053.73 o
   0   1   1      175.77      225.92     30.18 o
   0   2   1      210.93      236.40     31.53 o
  -1   3   1       58.28       82.81     19.49 o
   0   3   1       33.89      184.52     34.89 o
  -1   4   1      110.75      215.30     28.73 o
   0   4   1       31.23       40.36     36.16 o
  -2   5   1       63.81       45.40     28.21 o
  -1   5   1        6.98      203.60     40.34 o
   0   5   1        5.01       37.47     49.30 o
  -2   6   1        8.26       47.60     42.03 o
  -1   6   1       38.75      106.24     46.42 o
   0   6   1        0.87       56.02     72.15 o
  -3   7   1        7.14      -15.26     56.90 o
  -2   7   1        9.23       60.95     66.71 o
   0   1   2    35002.62    33691.16   1375.45 o
  -1   2   2    49079.63    47152.59   1679.70 o
   0   2   2    14445.39    14721.92    535.66 o
  -1   3   2    17603.91    16534.88    421.93 o
   0   3   2    39758.93    41598.50   1541.94 o
  -2   4   2    53704.07    50746.39   1836.61 o
  -1   4   2    14879.45    15619.91    439.84 o
   0   4   2     9438.34    10217.46    485.90 o
  -2   5   2    13197.87    12674.79    421.33 o
  -1   5   2    30242.84    29337.11    857.63 o
   0   5   2     7787.21     8252.98    460.95 o
  -3   6   2    27440.46    25465.63   1339.87 o
  -2   6   2     6847.29     7412.41    361.32 o
  -1   6   2     6928.35     7477.33    330.45 o
   0   6   2    26060.26    26022.87   1238.98 o
  -3   7   2     5626.27     4767.72    344.95 o
  -2   7   2    20598.61    21549.61    972.97 o
   0   1   3     6002.75     5824.48    226.28 o
   0   2   3      510.87      480.94     54.79 o
  -1   3   3     4977.60     5378.65    151.46 o
   0   3   3      137.43      336.01     48.25 o
  -1   4   3     2810.48     3106.14    122.80 o
   0   4   3     1030.67     1094.87    104.19 o
  -2   5   3     2139.43     1798.88    109.20 o
  -1   5   3       32.91      149.61     37.10 o
   0   5   3     2513.01     2384.60    200.02 o
  -2   6   3      899.18     1011.76    112.91 o
  -1   6   3     1504.08     1435.41    125.49 o
   0   6   3        0.93       46.71     65.53 o
  -3   7   3     1513.83     1482.50    197.79 o
  -2   7   3       40.69      118.72     75.55 o
   0   1   4     1187.51     1471.91     85.45 o
  -1   2   4      504.70      546.36     49.74 o
   0   2   4     1491.48     1773.86    109.39 o
  -1   3   4      542.73      731.06     43.21 o
   0   3   4      546.73      940.16     77.43 o
  -2   4   4     1105.09      895.73     79.87 o
  -1   4   4      614.58      605.52     52.67 o
   0   4   4      784.98      841.23     87.72 o
  -2   5   4      717.47      754.36     70.84 o
  -1   5   4      318.28      339.27     59.93 o
   0   5   4      299.45      270.53     83.36 o
  -3   6   4      201.40      227.38     84.59 o
  -2   6   4      552.37      515.19     78.16 o
  -1   6   4      281.36      267.55     60.73 o
   0   6   4      429.46      280.40     87.45 o
  -3   7   4      232.01      212.45     77.29 o
  -2   7   4      235.36      250.14     83.59 o
   0   1   5    51954.61    55125.79   2090.67 o
   0   2   5    94484.31    93287.73   3818.54 o
  -1   3   5    35937.82    37461.51   1003.69 o
   0   3   5      240.04      285.17     47.43 o
  -1   4   5    32688.39    32833.82    874.21 o
   0   4   5    45390.90    46761.61   1822.19 o
  -2   5   5    27886.01    30269.41    944.74 o
  -1   5   5       61.45      454.12     60.06 o
   0   5   5    20293.06    23650.02   1161.24 o
  -2   6   5    29092.37    27008.23    973.87 o
  -1   6   5    19609.60    19879.04    754.87 o
   0   6   5        0.95      111.50     80.81 o
  -3   7   5    15858.13    18182.81    852.30 o
  -2   7   5       76.07       75.54     59.23 o
   0   0   6     9024.83    10583.78    900.47 o
   0   1   6    49035.49    50438.55   1991.74 o
  -1   2   6     2808.81     3099.64    153.86 o
   0   2   6    34590.09    34209.37   1410.58 o
  -1   3   6    35610.60    35849.29    956.83 o
   0   3   6     3213.53     4453.90    243.20 o
  -2   4   6     5494.37     6440.57    338.89 o
  -1   4   6    26194.80    25858.91    728.00 o
   0   4   6    21060.60    22167.28    863.51 o
  -2   5   6    19895.93    20688.18    629.92 o
  -1   5   6     2738.28     2989.97    167.87 o
   0   5   6    17885.74    17301.12    771.76 o
  -3   6   6     2412.57     1867.85    194.28 o
  -2   6   6    14378.05    15960.50    736.31 o
  -1   6   6    14916.96    14734.76    590.34 o
   0   6   6     3421.01     2797.25    300.19 o
  -3   7   6    12742.47    14058.34    979.94 o
  -2   7   6     2552.19     2616.18    202.15 o
   0   1   7    99480.61   101219.52   3985.05 o
   0   2   7   115237.70   111948.74   4599.00 o
  -1   3   7    61231.68    63590.50   1635.04 o
   0   3   7      147.13      253.62     46.36 o
  -1   4   7    49076.18    45777.96   1319.40 o
   0   4   7    54476.29    53754.42   2047.61 o
  -2   5   7    39165.01    40035.32   1277.61 o
  -1   5   7       38.79      134.89     37.18 o
   0   5   7    28608.83    32104.80   1447.67 o
  -2   6   7    33876.96    32831.20   1126.50 o
  -1   6   7    25813.36    22618.87    851.50 o
   0   6   7        0.88       -3.87     70.23 o
  -3   7   7    20561.64    23772.49   1046.08 o
  -2   7   7       49.96       75.91     61.74 o
   0   0   8   156180.95   154746.61  12553.59 o
   0   1   8    20890.56    21626.01    756.36 o
  -1   2   8   158380.66   150756.00   5506.85 o
   0   2   8    26129.45    27553.02   1064.04 o
  -1   3   8    20630.42    21035.64    568.83 o
   0   3   8   114070.33   115226.17   4232.00 o
  -2   4   8    86004.10    97904.39   4646.14 o
  -1   4   8    15861.55    15333.47    478.68 o
   0   4   8    17103.95    18124.32    759.93 o
  -2   5   8    12359.49    11978.63    416.78 o
  -1   5   8    69608.89    73171.22   2253.98 o
   0   5   8    13452.92    12764.76    712.24 o
  -3   6   8    56371.22    53887.21   2386.73 o
  -2   6   8    12441.35    11959.79    486.77 o
  -1   6   8    11502.35    11069.23    480.23 o
   0   6   8    41987.87    42271.04   2579.06 o
  -3   7   8    10561.74     9922.40    471.50 o
  -2   7   8    41930.89    40467.87   1572.23 o
   0   1   9     2119.48     2149.12    106.54 o
   0   2   9     2076.62     2143.35    127.81 o
  -1   3   9     1306.80     1310.62     68.22 o
   0   3   9       34.87       76.51     32.38 o
  -1   4   9      565.48      433.23     51.64 o
   0   4   9      755.32      769.57     89.88 o
  -2   5   9      358.61      411.92     54.41 o
  -1   5   9        8.84      123.05     38.18 o
   0   5   9      390.25      310.72     85.66 o
  -2   6   9      303.55      230.72     52.98 o
  -1   6   9      130.85      137.81     53.05 o
   0   6   9        0.76        2.64     88.27 o
  -3   7   9      130.26       84.08     58.40 o
   0   0  10      300.05      979.13    155.98 o
   0   1  10    44039.68    41762.32   1591.82 o
  -1   2  10    12177.06    13153.85    467.27 o
   0   2  10    59494.66    65442.63   2938.42 o
  -1   3  10    38326.20    40510.00   1083.33 o
   0   3  10    10289.30     9526.96    440.13 o
  -2   4  10     1939.64     2258.36    171.12 o
  -1   4  10    27625.26    26582.77    878.11 o
   0   4  10    33016.04    31796.99   1200.05 o
  -2   5  10    20591.56    21620.84    695.14 o
  -1   5  10     6883.48     7084.40    287.15 o
   0   5  10    22090.49    25225.81   1699.60 o
  -3   6  10     5625.69     5886.23    421.84 o
  -2   6  10    21907.50    23122.22    841.02 o
  -1   6  10    18065.50    17216.80    713.59 o
   0   6  10     2686.15     1592.63    298.54 o
  -3   7  10    16260.59    16359.96    670.03 o
   0   1  11     5608.37     5758.13    227.76 o
   0   2  11     1921.10     2026.82    126.45 o
  -1   3  11     3560.71     3820.53    171.67 o
   0   3  11       14.98        1.19     28.94 o
  -1   4  11     2972.78     3214.80    186.26 o
   0   4  11     1310.21     1608.07    147.87 o
  -2   5  11     2239.34     2062.30    126.41 o
  -1   5  11        3.72       88.10     37.50 o
   0   5  11     1503.27     1277.22    160.55 o
  -2   6  11      936.28      981.53     98.11 o
  -1   6  11     1493.26     1332.45    131.78 o
   0   6  11        0.68       42.30     84.57 o
   0   0  12   142622.42   147363.38  11999.25 o
   0   1  12    34616.77    35204.01   1356.86 o
  -1   2  12    76041.27    79615.87   2731.96 o
   0   2  12    43958.34    45777.30   1690.84 o
  -1   3  12    30844.01    31573.12    941.88 o
   0   3  12    59849.44    59186.77   2192.57 o
  -2   4  12    74203.63    75792.16   3438.68 o
  -1   4  12    23030.50    21481.00    667.07 o
   0   4  12    26372.85    26737.98   1171.45 o
  -2   5  12    17519.97    19471.09    629.98 o
  -1   5  12    42597.07    43064.83   1339.51 o
   0   5  12    18515.18    19489.29   1233.90 o
  -3   6  12    37159.96    33538.63   1572.57 o
  -2   6  12    17907.63    17755.11    676.65 o
  -1   6  12    15213.00    15475.46    678.18 o
   0   1  13       34.60      135.37     28.58 o
   0   2  13       74.45      116.90     33.07 o
  -1   3  13      134.38      142.56     29.86 o
   0   3  13       46.45      120.59     41.13 o
  -1   4  13       59.62       93.86     31.73 o
   0   4  13        6.82       60.77     50.50 o
  -2   5  13       72.61       94.92     36.32 o
  -1   5  13       14.31       52.88     36.45 o
   0   5  13      231.42      125.66    118.46 o
  -2   6  13       40.95       57.51     39.23 o
  -1   6  13      106.97      114.92     61.09 o
   0   0  14    61052.42    61050.48   4949.97 o
   0   1  14     4114.81     4499.35    198.37 o
  -1   2  14    51461.42    50710.20   1812.21 o
   0   2  14     3378.11     3516.59    190.00 o
  -1   3  14     2846.24     3416.31    181.51 o
   0   3  14    39913.11    40915.70   1576.81 o
  -2   4  14    36574.84    37319.86   1553.13 o
  -1   4  14     2747.61     2745.82    141.59 o
   0   4  14     2472.30     2753.99    221.42 o
  -2   5  14     2751.18     2696.22    148.09 o
  -1   5  14    28113.42    27992.60    911.90 o
   0   5  14     1762.16     1530.36    200.88 o
  -3   6  14    24689.97    26506.11   1217.80 o
  -2   6  14     1978.31     1803.17    126.08 o
  -1   6  14     1644.67     1547.74    152.18 o
   0   1  15    25046.43    24932.93    855.74 o
   0   2  15     8652.34     9116.39    385.43 o
  -1   3  15    18502.02    19047.50    583.09 o
   0   3  15       90.66       70.30     38.04 o
  -1   4  15    12225.31    14224.52    475.91 o
   0   4  15     5961.34     7283.11    456.77 o
  -2   5  15     9095.78     8116.46    320.61 o
  -1   5  15       31.61      157.64     46.88 o
   0   5  15     8594.54     7291.56    496.98 o
  -2   6  15     4023.12     4307.21    220.16 o
  -1   6  15     5907.09     7910.10    440.60 o
   0   0  16    41947.09    40635.32   3401.20 o
   0   1  16    31251.02    28954.53   1057.25 o
  -1   2  16    46523.17    44021.73   1693.59 o
   0   2  16    30815.76    29625.16   1140.77 o
  -1   3  16    24320.34    24435.26    778.12 o
   0   3  16    37568.32    33253.05   1587.65 o
  -2   4  16    29731.14    27673.22   1199.32 o
  -1   4  16    20750.55    20130.69    649.57 o
   0   4  16    20719.55    21162.38   1088.64 o
  -2   5  16    18357.65    17732.58    613.57 o
  -1   5  16    27627.86    26835.76    906.42 o
   0   5  16    14849.06    14600.03    919.32 o
  -3   6  16    24602.33    24153.16   1106.06 o
  -2   6  16    15428.33    15439.60    566.25 o
   0   1  17    42121.76    40142.18   1425.68 o
   0   2  17    53619.08    50999.02   2017.02 o
  -1   3  17    30931.30    30962.42    968.52 o
   0   3  17       66.47      142.70     51.39 o
  -1   4  17    26341.35    25354.77    830.46 o
   0   4  17    30746.68    32930.53   1928.93 o
  -2   5  17    21689.41    21166.16    686.30 o
  -1   5  17       24.76       98.61     44.78 o
   0   5  17    15926.59    16110.56    929.51 o
  -2   6  17    19970.27    18232.59    679.20 o
   0   0  18    53982.17    57567.16   4766.97 o
   0   1  18    15478.34    14884.40    591.38 o
  -1   2  18    44312.11    45922.82   1907.31 o
   0   2  18    12538.11    12530.40    567.40 o
  -1   3  18    11652.00    11801.44    399.97 o
   0   3  18    36325.33    33065.62   1593.18 o
  -2   4  18    35613.21    36346.95   1633.34 o
  -1   4  18    10495.65    11527.73    431.45 o
   0   4  18     9189.04     8721.04    615.33 o
  -2   5  18     9788.99     9467.34    367.83 o
  -1   5  18    26759.22    25846.02    962.11 o
   0   5  18     7341.30     6894.48    486.28 o
  -3   6  18    23687.10    21646.81   1071.28 o
   0   1  19    27735.91    28178.13   1075.05 o
   0   2  19    27049.98    26470.21   1086.81 o
  -1   3  19    22601.68    23190.60    717.90 o
   0   3  19       19.49       65.79     45.50 o
  -1   4  19    20195.34    18712.92    826.30 o
   0   4  19    19087.18    19054.61   1032.80 o
  -2   5  19    17438.25    16073.80    710.06 o
  -1   5  19        7.28       82.27     46.96 o
   0   5  19    14116.65    14083.06    842.45 o
   0   0  20     1346.82     1189.71    239.86 o
   0   1  20    11105.47    11761.92    489.53 o
  -1   2  20     6381.32     7748.10    410.55 o
   0   2  20     6111.62     5950.11    338.44 o
  -1   3  20     7939.34     8544.06    341.28 o
   0   3  20     5469.69     5057.07    371.49 o
  -2   4  20     1762.73     1585.83    208.45 o
  -1   4  20     7545.98     7898.68    427.63 o
   0   4  20     4947.29     5598.00    418.19 o
  -2   5  20     7321.86     7509.98    333.15 o
  -1   5  20     3752.06     3001.43    210.39 o
   0   1  21      565.74      885.96     93.28 o
   0   2  21      139.73       29.24     41.90 o
  -1   3  21      451.17      459.37     58.65 o
   0   3  21        5.66       52.43     59.15 o
  -1   4  21      498.40      600.87     78.17 o
   0   4  21      164.84       70.08     69.95 o
  -2   5  21      443.94      334.07     60.06 o
  -1   5  21        2.00       15.36     46.87 o
   0   0  22     4447.36     3859.33    619.47 o
   0   1  22     4003.58     4315.12    285.27 o
  -1   2  22    10199.32    11013.09    561.90 o
   0   2  22     6772.48     7303.39    441.08 o
  -1   3  22     4513.62     4980.94    232.68 o
   0   3  22     7968.46     7766.01    500.28 o
  -2   4  22     3259.86     3329.54    262.09 o
  -1   4  22     3611.77     3614.79    231.65 o
   0   4  22     5104.07     5176.37    418.56 o
  -2   5  22     2828.15     2763.18    243.23 o
   0   1  23     9714.17    11154.91    523.46 o
   0   2  23     9025.34     7634.68    765.97 o
  -1   3  23     7443.70     7847.22    334.06 o
   0   3  23       11.17       46.67     63.87 o
  -1   4  23     6409.65     6995.49    436.79 o
   0   4  23     5751.69     6629.34    501.21 o
   0   0  24    11960.93    12929.85   2222.14 o
   0   1  24    67349.69    71091.37   2914.27 o
  -1   2  24     8450.97     8200.13    517.31 o
   0   2  24    64411.66    62891.10   3456.98 o
  -1   3  24    58093.72    55388.11   1961.30 o
   0   3  24     6247.56     6628.15    504.12 o
  -2   4  24     6526.41     6642.63    600.13 o
  -1   4  24    48302.44    50669.98   1862.99 o
   0   4  24    46145.63    50271.17   2581.65 o
   0   1  25     2317.88     2255.38    292.12 o
   0   2  25      544.52      433.94     93.20 o
  -1   3  25     1936.10     1789.91    144.80 o
   0   3  25       25.14       52.06     70.02 o
  -1   4  25     1241.58     1258.83    124.30 o
   0   0  26     5284.04     5086.36    816.21 o
   0   1  26    23221.44    26984.55   2592.65 o
  -1   2  26     3725.66     3284.01    266.22 o
   0   2  26    20815.57    21023.04   1152.82 o
  -1   3  26    20902.85    22273.00    943.88 o
   0   3  26     3158.65     3293.04    322.68 o
  -2   4  26     3554.65     3539.81    321.79 o
   0   1  27     7140.59     7463.86    680.12 o
   0   2  27     3509.90     2870.40    289.39 o
  -1   3  27     6628.76     6243.23    329.15 o
   0   3  27       23.95        2.85     68.46 o
   0   0  28      354.36       90.84    226.28 o
   0   1  28     5129.94     4714.52    454.96 o
  -1   2  28      331.66      388.90    102.48 o
   0   2  28     4960.14     5057.29    444.94 o
  -1   3  28     4849.72     4833.71    291.88 o
   0   1  29     7620.18     6618.99    613.15 o
   0   2  29     8549.73     9748.19   1195.83 o
   0   1  30      101.93      227.67    153.98 o