# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
data_ooo(gama) 
_shelx_title ' OOO R3c' 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum       97.30 
_exptl_crystal_F_000       540.00 
_reflns_d_resolution_high  0.8394 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 '-y, -x, z+1/2' 
 'x, x-y, z+1/2' 
 '-x+y, y, z+1/2' 
 'x+2/3, y+1/3, z+1/3' 
 '-y+2/3, x-y+1/3, z+1/3' 
 '-x+y+2/3, -x+1/3, z+1/3' 
 '-y+2/3, -x+1/3, z+5/6' 
 'x+2/3, x-y+1/3, z+5/6' 
 '-x+y+2/3, y+1/3, z+5/6' 
 'x+1/3, y+2/3, z+2/3' 
 '-y+1/3, x-y+2/3, z+2/3' 
 '-x+y+1/3, -x+2/3, z+2/3' 
 '-y+1/3, -x+2/3, z+7/6' 
 'x+1/3, x-y+2/3, z+7/6' 
 '-x+y+1/3, y+2/3, z+7/6' 
 
_cell_length_a    14.0270 
_cell_length_b    14.0270 
_cell_length_c     7.0880 
_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 
  -2   4   0      925.96      899.08     19.79 o 
  -1   5   0     1951.39     1938.83     31.88 o 
  -3   6   0      185.32      219.32      5.52 o 
   0   6   0     2578.61     2363.06     55.11 o 
  -2   7   0     1202.09     1294.40     18.43 o 
  -4   8   0      585.29      516.68     11.74 o 
  -1   8   0      646.73      680.70     11.24 o 
  -3   9   0       77.10       61.16      4.14 o 
   0   9   0      320.65      311.80      7.35 o 
  -5  10   0        4.55       10.33      2.35 o 
  -2  10   0      718.85      688.00     11.70 o 
  -4  11   0      821.12      794.71     13.99 o 
  -1  11   0      103.24       94.60      3.45 o 
  -6  12   0      185.44      214.25      7.77 o 
  -3  12   0      390.49      425.90     11.25 o 
   0  12   0      251.54      258.78      9.00 o 
  -5  13   0      466.80      475.11      9.26 o 
  -2  13   0      163.42      149.70      4.37 o 
  -7  14   0        0.35        0.00      3.74 o 
  -4  14   0       74.13       79.52      4.49 o 
  -1  14   0        2.22        4.40      3.63 o 
  -6  15   0       35.25       36.52     10.03 o 
  -3  15   0       37.95       39.69      4.84 o 
  -8  16   0        1.86        1.90      6.27 o 
  -5  16   0       13.38       12.82      4.28 o 
  -2   3   1      172.84      156.47      3.05 o 
  -1   4   1     1512.20     1259.55     17.62 o 
  -3   5   1      309.90      300.19      4.51 o 
  -5   6   1     2702.79     2712.30     42.86 o 
  -2   6   1     2122.99     2124.62     27.47 o 
  -4   7   1     2356.23     2461.33     34.41 o 
  -1   7   1     2551.14     2611.06     43.00 o 
  -6   8   1     1102.18     1180.99     17.83 o 
  -3   8   1      260.66      310.18      5.68 o 
  -8   9   1      540.38      574.12     10.30 o 
  -5   9   1     1544.03     1557.52     24.67 o 
  -2   9   1      332.65      349.17      6.25 o 
  -7  10   1       45.47       47.19      2.53 o 
  -4  10   1      698.32      706.31     11.37 o 
  -1  10   1       38.04       52.38      1.92 o 
  -9  11   1      195.07      201.12      4.89 o 
  -6  11   1      127.43      126.50      3.22 o 
  -3  11   1      767.14      793.79     14.15 o 
 -11  12   1       74.26       69.77      3.00 o 
  -8  12   1     1462.68     1503.38     26.68 o 
  -5  12   1      827.40      824.91     12.89 o 
  -2  12   1      392.89      378.82      6.71 o 
 -10  13   1      426.38      416.29      8.69 o 
  -7  13   1      167.62      166.18      5.20 o 
  -4  13   1      608.42      623.51     10.80 o 
  -1  13   1       20.63       14.35      3.01 o 
 -12  14   1       23.36       21.76      4.77 o 
  -9  14   1       70.97       63.99      3.99 o 
  -6  14   1       17.21       15.99      3.08 o 
  -3  14   1      113.79      114.48      4.14 o 
 -11  15   1       25.04       24.31      5.43 o 
  -8  15   1        0.54        0.00      3.76 o 
  -5  15   1        7.78        6.20      2.11 o 
  -2  15   1        9.33        8.04      4.36 o 
 -10  16   1        0.20        0.00      5.43 o 
  -7  16   1        3.14        3.75      5.30 o 
  -2   2   2     9467.37     8355.92    276.78 o 
  -1   3   2     1917.05     1753.08     24.53 o 
  -3   4   2      532.43      511.15      8.26 o 
   0   4   2     1136.93     1052.26     24.21 o 
  -5   5   2     2317.35     2392.45     57.56 o 
  -2   5   2       26.62       27.67      1.04 o 
  -4   6   2      559.76      532.74      8.25 o 
  -1   6   2     1518.22     1559.51     20.33 o 
  -6   7   2      742.86      774.85     12.75 o 
  -3   7   2      480.74      477.26      6.74 o 
   0   7   2      873.51      869.22     16.50 o 
  -8   8   2      718.95      697.19     14.02 o 
  -5   8   2      294.94      307.74      8.92 o 
  -2   8   2      152.75      188.80      3.36 o 
  -7   9   2       65.61       63.49      7.60 o 
  -4   9   2       78.25       79.32      2.03 o 
  -1   9   2      296.82      300.02      9.65 o 
  -9  10   2      101.21      106.00      7.67 o 
  -6  10   2      100.07      110.89      3.88 o 
  -3  10   2      285.82      270.93      5.37 o 
   0  10   2       33.75       33.78      4.01 o 
 -11  11   2      157.47      149.31      5.09 o 
  -8  11   2      707.62      700.66     12.49 o 
  -5  11   2      144.71      157.97      3.98 o 
  -2  11   2      186.31      189.72      5.96 o 
 -10  12   2       15.94       20.16      2.82 o 
  -7  12   2      387.11      405.15      7.57 o 
  -4  12   2      713.97      724.75     12.36 o 
  -1  12   2      172.16      171.74      4.00 o 
 -12  13   2       74.87       70.59      7.11 o 
  -9  13   2      158.88      185.03      8.38 o 
  -6  13   2      115.59      103.22      4.54 o 
  -3  13   2        1.95        0.00      1.74 o 
   0  13   2       33.42       32.45      4.33 o 
 -14  14   2       16.40       25.23      8.07 o 
 -11  14   2       79.12       68.13      6.64 o 
  -8  14   2       50.55       51.76      2.63 o 
  -5  14   2       28.90       25.94      2.44 o 
  -2  14   2       31.31       26.93      3.54 o 
 -10  15   2        8.82        7.26      2.63 o 
  -7  15   2       14.71       14.77      5.09 o 
  -4  15   2       68.23       65.25      3.86 o 
  -9  16   2       25.74       25.67      7.37 o 
  -6  16   2        9.83       13.24      5.56 o 
  -1   2   3       19.25       12.20      6.96 o 
  -2   4   3      297.91      298.39      4.12 o 
  -4   5   3      164.90      158.39      4.45 o 
  -1   5   3      229.97      224.94      3.10 o 
  -3   6   3      294.10      273.69      4.45 o 
  -5   7   3      883.82      913.53     13.83 o 
  -2   7   3      920.52      939.47     12.11 o 
  -7   8   3      314.33      306.08      5.89 o 
  -4   8   3        2.67        7.45      1.67 o 
  -1   8   3      244.04      258.40      4.01 o 
  -6   9   3       35.03       39.77      2.38 o 
  -3   9   3       82.69       79.70      2.67 o 
  -8  10   3       64.95       68.61      3.07 o 
  -5  10   3      302.65      286.27      7.49 o 
  -2  10   3       31.93       36.64      4.00 o 
 -10  11   3       13.10       12.03      2.01 o 
  -7  11   3      334.64      363.68     17.60 o 
  -4  11   3      287.67      303.58      5.52 o 
  -1  11   3       31.67       28.82      3.22 o 
  -9  12   3      410.87      418.86      8.62 o 
  -6  12   3      103.11      112.65      7.07 o 
  -3  12   3      451.43      459.06     11.91 o 
 -11  13   3       75.87       73.54      3.53 o 
  -8  13   3      209.53      202.62      4.98 o 
  -5  13   3      196.90      202.01      5.02 o 
  -2  13   3       83.46       81.08      4.21 o 
 -13  14   3        0.11        1.43      3.92 o 
 -10  14   3       80.18       64.44      4.91 o 
  -7  14   3        1.37        1.01      4.46 o 
  -4  14   3       66.16       60.75      5.00 o 
  -1  14   3        0.08        0.95      2.51 o 
  -9  15   3        2.30        0.00      3.93 o 
  -6  15   3        1.34        1.00      3.04 o 
  -1   1   4     5845.65     5972.66    104.25 o 
   0   2   4      802.21      773.03     12.37 o 
  -2   3   4      279.80      279.80      3.72 o 
  -4   4   4      259.17      241.09      5.57 o 
  -1   4   4       99.21       98.86      6.70 o 
  -3   5   4        5.99        8.02      1.21 o 
   0   5   4      402.21      437.45      9.30 o 
  -5   6   4      317.05      339.19      5.08 o 
  -2   6   4      129.42      133.72      3.33 o 
  -7   7   4      199.61      207.37      5.37 o 
  -4   7   4      117.36      126.42      7.62 o 
  -1   7   4      209.78      207.03      3.27 o 
  -6   8   4       51.02       53.85      2.00 o 
  -3   8   4       65.38       69.47      2.16 o 
   0   8   4      128.59      122.89      3.66 o 
  -8   9   4       69.69       78.74      2.84 o 
  -5   9   4        6.59        6.77      1.48 o 
  -2   9   4       18.40       19.35      1.52 o 
 -10  10   4        2.56        1.24      2.31 o 
  -7  10   4       93.22       96.20      3.02 o 
  -4  10   4       40.66       47.68      2.46 o 
  -1  10   4       21.38       20.21      1.65 o 
  -9  11   4       50.48       42.13      3.48 o 
  -6  11   4       63.04       68.05      2.63 o 
  -3  11   4      154.98      157.93      3.79 o 
   0  11   4       32.55       34.96      2.97 o 
 -11  12   4       27.63       26.82      2.18 o 
  -8  12   4      171.97      180.24      8.88 o 
  -5  12   4      143.10      134.99      4.61 o 
  -2  12   4        9.01       10.21      1.94 o 
 -10  13   4        1.70        0.42      2.49 o 
  -7  13   4       46.41       39.64      2.84 o 
  -4  13   4       49.56       45.33      3.12 o 
  -1  13   4       26.29       18.71      3.10 o 
  -9  14   4       11.53        7.79      2.55 o 
  -6  14   4       20.94       18.92      3.90 o 
  -1   3   5       14.24       12.34      1.31 o 
  -3   4   5        8.63        6.47      0.68 o 
  -2   5   5        4.78        7.50      1.58 o 
  -4   6   5       47.27       56.49      1.60 o 
  -1   6   5       60.60       67.21      4.45 o 
  -6   7   5       60.91       54.19      2.05 o 
  -3   7   5       26.96       25.55      1.25 o 
  -5   8   5       10.13        9.25      1.39 o 
  -2   8   5       40.01       33.72      1.62 o 
  -7   9   5       27.48       28.00      1.72 o 
  -4   9   5       42.22       52.15      2.15 o 
  -1   9   5        8.41        7.36      1.78 o 
  -9  10   5        5.62        5.14      1.84 o 
  -6  10   5       26.43       23.25      1.95 o 
  -3  10   5       27.90       26.23      1.90 o 
  -8  11   5       78.71       86.55      3.05 o 
  -5  11   5        6.89        6.60      1.98 o 
  -2  11   5       42.90       44.70      2.94 o 
 -10  12   5       33.06       30.55      2.66 o 
  -7  12   5       53.31       54.29      3.10 o 
  -4  12   5      106.66      103.81      7.65 o 
  -1  12   5       10.08        5.28      2.52 o 
  -9  13   5       70.72       69.54      3.95 o 
  -6  13   5       12.41        6.65      3.07 o 
   0   0   6      904.32     1025.90     57.91 o 
  -1   2   6      195.72      201.43      4.25 o 
  -3   3   6       21.60       27.58      2.19 o 
   0   3   6       10.48        9.61      1.78 o 
  -2   4   6        0.89        0.28      1.06 o 
  -4   5   6       28.25       27.12      0.87 o 
  -1   5   6       27.08       21.71      1.58 o 
  -6   6   6       46.95       49.24      1.71 o 
  -3   6   6       19.08       19.99      1.69 o 
   0   6   6       48.96       45.01      3.37 o 
  -5   7   6       27.42       21.87      1.49 o 
  -2   7   6       30.11       27.95      2.34 o 
  -7   8   6       14.78       15.43      2.62 o 
  -4   8   6        8.72        7.07      1.44 o 
  -1   8   6       16.19       12.12      2.47 o 
  -9   9   6        5.98        0.00      2.53 o 
  -6   9   6        0.30        0.28      1.43 o 
  -3   9   6        0.09        0.38      1.51 o 
   0   9   6        4.16        2.99      4.79 o 
  -8  10   6       10.66        9.03      2.59 o 
  -5  10   6        6.59        6.16      1.79 o 
  -2  10   6        6.45        4.94      1.82 o 
  -7  11   6       25.31       23.20      2.61 o 
  -4  11   6       26.28       21.58      2.51 o 
  -2   3   7        0.14        0.06      2.23 o 
  -1   4   7        0.44        0.58      1.07 o 
  -3   5   7        0.15        0.00      1.51 o 
  -5   6   7        2.25        3.04      1.42 o 
  -2   6   7        1.82        2.43      1.66 o 
  -4   7   7        1.28        0.44      1.52 o 
  -1   7   7        2.98        2.41      2.11 o 
  -6   8   7        4.68        5.14      2.81 o 
  -3   8   7        2.26        3.71      2.23 o 
  -5   9   7        1.84        0.00      3.50 o 
   0   1   8       43.95       48.84      7.22 o 
  -2   2   8       15.47       23.18      5.80 o 
  -1   3   8        3.36        3.48      4.30 o 
  -3   4   8        0.12        0.00      3.57 o 
   0   4   8        1.30        0.82      9.53 o 
  -2   5   8        1.58        0.00      3.80 o