#
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
#
data_SrV3O7_225K
_shelx_title ' lrs9_1 in Pmmn'
_shelx_refln_list_code          4
_shelx_F_calc_maximum      177.50
_exptl_crystal_F_000       326.00
_reflns_d_resolution_high  0.8170
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y+1/2, z'
 'x+1/2, -y, -z'
 '-x, y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, y-1/2, -z'
 '-x-1/2, y, z'
 'x, -y-1/2, z'
 
_cell_length_a     5.2954
_cell_length_b    10.5342
_cell_length_c     5.2952
_cell_angle_alpha  90.000
_cell_angle_beta   90.000
_cell_angle_gamma  90.000
 
_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   0   0    21885.46    19521.64    134.58 o
   4   0   0    19595.79    20344.35    230.21 o
   6   0   0     4085.30     4583.04     75.10 o
   1   1   0      530.46      488.13     18.30 o
   3   1   0      624.52      651.13     12.22 o
   5   1   0      115.19      141.83     12.04 o
   0   2   0      187.81      161.82     21.30 o
   2   2   0      307.70      297.85     13.23 o
   4   2   0      126.46      128.32     12.11 o
   6   2   0       73.69       59.99     13.53 o
   1   3   0      636.30      627.92     14.33 o
   3   3   0      383.02      396.30     12.87 o
   5   3   0       17.07       19.42     12.42 o
   0   4   0    16710.65    14468.78    323.43 o
   2   4   0    31505.96    31101.01    502.74 o
   4   4   0     6486.78     6480.18    106.32 o
   6   4   0     5389.44     6007.14    259.91 o
   1   5   0     3191.06     3085.48     45.22 o
   3   5   0     1470.34     1500.76     13.06 o
   5   5   0      946.48     1020.89     30.94 o
   0   6   0     1749.42     1724.82     29.64 o
   2   6   0      765.94      803.47     13.20 o
   4   6   0      601.93      624.07     25.19 o
   1   7   0      988.75     1003.57     13.60 o
   3   7   0      344.30      338.77     11.56 o
   5   7   0      330.71      304.76     15.95 o
   0   8   0    12025.70    12480.17     97.94 o
   2   8   0     3867.85     3931.98     43.46 o
   4   8   0     5370.08     5836.00    513.53 o
   1   9   0     1768.76     1821.17     11.67 o
   3   9   0     1402.33     1452.84     56.63 o
   0  10   0     1103.97     1203.87     40.50 o
   2  10   0     1382.93     1431.90     32.14 o
   4  10   0      531.94      287.55     45.20 o
   1  11   0      287.67      289.80     12.05 o
   3  11   0      322.55      300.95     21.07 o
   0  12   0     1269.40     1236.78     68.69 o
   2  12   0     2782.72     2826.39    153.59 o
   0   0   1     5697.76     5181.83     72.10 o
   1   0   1      159.27      157.44     18.29 o
   2   0   1      514.36      686.55     13.37 o
   3   0   1      158.41      164.62     12.46 o
   4   0   1     1226.11     1308.32     16.42 o
   5   0   1       48.33       70.05     12.54 o
   6   0   1        7.67       10.70     13.86 o
   0   1   1      450.18      429.17     19.20 o
   1   1   1     3708.47     3482.21     27.35 o
   2   1   1       49.23       51.11      8.75 o
   3   1   1     1430.41     1371.94      9.90 o
   4   1   1      182.93      200.68      9.88 o
   5   1   1      995.07     1088.29      9.14 o
   6   1   1       37.51       36.83      9.60 o
   0   2   1     2773.30     2515.99     40.11 o
   1   2   1    17438.65    16636.05    113.35 o
   2   2   1     1627.78     1492.03     10.19 o
   3   2   1     8603.46     8473.94     50.44 o
   4   2   1      973.52      949.36      9.84 o
   5   2   1     3547.36     3766.90     31.75 o
   6   2   1      396.94      381.90     10.10 o
   0   3   1     1172.01     1078.90     18.11 o
   1   3   1     2440.14     2149.30     21.59 o
   2   3   1     1729.26     1688.69     12.09 o
   3   3   1     2148.87     2102.55     14.59 o
   4   3   1      477.38      486.56      9.94 o
   5   3   1      698.43      736.00      9.84 o
   6   3   1      317.12      325.84     10.63 o
   0   4   1      271.11      372.39     11.75 o
   1   4   1      448.43      438.79      8.50 o
   2   4   1     2657.99     2637.01     27.51 o
   3   4   1      210.12      210.28      8.28 o
   4   4   1        1.35       -2.33      8.86 o
   5   4   1      134.46      173.82     10.21 o
   6   4   1      464.12      542.64     21.57 o
   0   5   1      195.31      198.02     10.90 o
   1   5   1     1481.03     1438.72     14.07 o
   2   5   1       17.94       31.54      7.78 o
   3   5   1     1076.11     1092.95     10.27 o
   4   5   1       30.09       34.69      8.83 o
   5   5   1      296.73      305.42     10.44 o
   0   6   1     1512.67     1483.90     17.36 o
   1   6   1     6531.71     6585.51     52.73 o
   2   6   1     1721.00     1685.33     10.75 o
   3   6   1     4092.38     4185.27     38.43 o
   4   6   1      632.97      639.96     10.98 o
   5   6   1     2010.22     2111.92     75.90 o
   0   7   1     2074.15     2114.39     19.31 o
   1   7   1     2570.54     2562.70     20.41 o
   2   7   1     1080.28     1089.04      9.12 o
   3   7   1     1476.42     1502.73     24.68 o
   4   7   1      902.36      948.95     19.03 o
   5   7   1     1187.28     1217.60     47.06 o
   0   8   1     1551.95     1623.19     17.22 o
   1   8   1      598.75      620.43      7.92 o
   2   8   1        2.84        8.54      7.98 o
   3   8   1      427.77      458.75     13.91 o
   4   8   1      609.90      656.81     16.99 o
   0   9   1       45.20       38.97     10.34 o
   1   9   1      233.61      226.55      7.64 o
   2   9   1       86.50       80.74      8.39 o
   3   9   1      114.42      111.47      8.86 o
   4   9   1       25.98       22.57      9.15 o
   0  10   1      856.78      885.42     11.85 o
   1  10   1     1916.83     1967.14     38.25 o
   2  10   1      388.29      382.78     10.83 o
   3  10   1     1386.25     1392.41     42.82 o
   0  11   1      704.02      681.02     40.79 o
   1  11   1     1797.46     1815.70     51.17 o
   2  11   1      850.26      784.04     23.65 o
   3  11   1     1568.13     1498.31     68.78 o
   0  12   1       11.25       25.73     12.52 o
   1  12   1      472.40      464.13     20.59 o
   2  12   1      263.29      229.46     41.63 o
   0   0   2     3114.04     3244.80     64.62 o
   1   0   2     6197.68     5956.37     75.63 o
   2   0   2      343.84      379.02     14.17 o
   3   0   2     3243.68     3105.26     39.84 o
   4   0   2      470.31      481.27     14.33 o
   5   0   2     1873.67     1833.43     20.25 o
   6   0   2       28.41       50.13     14.90 o
   0   1   2     3605.86     3328.59     39.00 o
   1   1   2      871.35      847.57     10.62 o
   2   1   2     5403.90     5273.56     27.32 o
   3   1   2      299.95      291.34      9.30 o
   4   1   2     1710.62     1668.72     16.69 o
   5   1   2      292.84      311.36     11.52 o
   6   1   2     1182.50     1108.85     12.67 o
   0   2   2      205.14      244.21     13.33 o
   1   2   2      308.72      273.09      9.71 o
   2   2   2       72.50      117.69      9.24 o
   3   2   2      251.98      256.41      9.19 o
   4   2   2       52.65       61.67      9.58 o
   5   2   2      169.77      178.71     10.91 o
   6   2   2       11.69       11.09     12.83 o
   0   3   2     5424.37     5432.59     54.30 o
   1   3   2     1176.66     1163.60      9.32 o
   2   3   2     1848.38     1824.16     12.28 o
   3   3   2      889.05      899.99     13.12 o
   4   3   2     1817.34     1821.20     34.83 o
   5   3   2      194.23      203.03     11.31 o
   0   4   2      577.96      593.07     12.19 o
   1   4   2     4786.39     4804.73     25.60 o
   2   4   2      786.37      799.83      9.38 o
   3   4   2     3239.30     3206.28     38.37 o
   4   4   2      126.42      142.31      9.94 o
   5   4   2     1327.72     1296.57     39.43 o
   0   5   2     6050.32     6077.46     48.45 o
   1   5   2      223.00      218.03      7.92 o
   2   5   2     3273.84     3274.61     20.78 o
   3   5   2      248.81      267.27      9.05 o
   4   5   2     2783.98     2871.75     68.79 o
   5   5   2       59.13       51.47     10.36 o
   0   6   2        5.38       22.81     10.58 o
   1   6   2      315.86      316.81      7.74 o
   2   6   2       24.59       55.60      8.48 o
   3   6   2      222.84      239.18      8.75 o
   4   6   2        1.34       18.09      8.79 o
   5   6   2      130.57      122.63     11.19 o
   0   7   2      539.09      552.52     11.30 o
   1   7   2      743.13      742.02      9.57 o
   2   7   2     1159.74     1166.44     14.23 o
   3   7   2      335.17      362.15      8.62 o
   4   7   2      275.93      266.67      9.22 o
   0   8   2      185.40      201.44     10.52 o
   1   8   2     2424.91     2510.44     21.61 o
   2   8   2      259.62      272.94      8.19 o
   3   8   2     1506.37     1530.98     35.29 o
   4   8   2       65.55       85.25      9.68 o
   0   9   2     3531.90     3753.57     53.43 o
   1   9   2      181.84      191.91      7.83 o
   2   9   2     3744.16     3952.68     78.86 o
   3   9   2       95.95       81.47      8.82 o
   4   9   2     2006.65     1861.61     74.22 o
   0  10   2        5.02       30.41     10.81 o
   1  10   2       67.00       64.83      7.86 o
   2  10   2       16.85       30.67      8.50 o
   3  10   2       50.29       47.53      9.16 o
   0  11   2      204.80      184.23     11.62 o
   1  11   2      188.94      195.10      8.35 o
   2  11   2       31.19       23.23      8.93 o
   0  12   2      132.10      117.06     12.48 o
   0   0   3      895.35      927.91     21.65 o
   1   0   3       66.96      104.65     14.28 o
   2   0   3      238.48      205.43     14.40 o
   3   0   3        3.43       35.39     13.16 o
   4   0   3      231.61      207.94     13.19 o
   5   0   3       28.85       17.11     15.29 o
   0   1   3      166.93      177.81     13.12 o
   1   1   3     1393.72     1378.84     10.26 o
   2   1   3     1056.99     1029.91     11.49 o
   3   1   3     1112.72     1083.26     15.73 o
   4   1   3       67.99       67.30      9.36 o
   5   1   3      388.01      349.47     11.37 o
   0   2   3     4970.54     5036.65     37.51 o
   1   2   3     8316.49     8770.48     45.16 o
   2   2   3     4089.53     4155.60     41.40 o
   3   2   3     4845.48     4864.70     59.30 o
   4   2   3     2091.89     1993.62     35.17 o
   5   2   3     2308.93     2108.44     39.59 o
   0   3   3       95.00       80.46     12.80 o
   1   3   3     2466.79     2467.40     16.40 o
   2   3   3      186.38      187.28      8.82 o
   3   3   3     1351.56     1354.74     20.49 o
   4   3   3       22.72       33.84      9.79 o
   5   3   3      929.27      848.50     31.22 o
   0   4   3      163.61      159.79     11.55 o
   1   4   3       26.98       65.70      8.44 o
   2   4   3      523.18      508.50      9.42 o
   3   4   3        2.04       22.17      9.22 o
   4   4   3       39.39       54.03      9.54 o
   5   4   3       19.70       29.61     11.63 o
   0   5   3     2262.36     2340.52     25.43 o
   1   5   3      543.35      562.67      8.79 o
   2   5   3      712.47      730.87      9.95 o
   3   5   3      298.25      296.69      9.37 o
   4   5   3      841.28      862.90     31.84 o
   5   5   3      235.85      228.30     11.31 o
   0   6   3     2934.12     3092.09     42.38 o
   1   6   3     3167.57     3396.43     39.90 o
   2   6   3     1995.34     2128.66     30.78 o
   3   6   3     2195.87     2294.05     42.65 o
   4   6   3     1416.42     1407.56     52.46 o
   0   7   3      481.67      485.21     13.43 o
   1   7   3     1940.86     2017.69     26.55 o
   2   7   3       16.05       25.11      8.21 o
   3   7   3     1577.44     1599.00     43.50 o
   4   7   3      204.30      197.47     12.13 o
   0   8   3      515.52      462.20     11.98 o
   1   8   3      206.91      225.24      8.45 o
   2   8   3       12.75       27.44      8.90 o
   3   8   3      188.98      202.17     10.39 o
   4   8   3      215.21      183.13     16.71 o
   0   9   3      603.28      579.69     20.37 o
   1   9   3      128.00      117.79      8.37 o
   2   9   3      931.87      963.87     23.92 o
   3   9   3      115.46      118.23      9.80 o
   0  10   3      820.36      840.74     33.77 o
   1  10   3      884.12      878.72     22.94 o
   2  10   3      959.46      926.58     30.57 o
   0  11   3       12.10       16.70     12.31 o
   1  11   3     1232.22     1128.97     31.14 o
   0   0   4     5803.38     6494.89     80.12 o
   1   0   4     1195.41     1207.83     16.16 o
   2   0   4     8351.77     8436.77    151.12 o
   3   0   4      991.05      975.11     25.86 o
   4   0   4     2852.41     2602.41     54.68 o
   5   0   4      304.34      242.23     16.04 o
   0   1   4      465.18      504.51     29.96 o
   1   1   4      264.41      307.30      9.26 o
   2   1   4        6.22      158.55     29.63 o
   3   1   4      142.26      160.30     10.08 o
   4   1   4      159.24      179.60     12.25 o
   5   1   4      127.13      106.81     20.32 o
   0   2   4       35.74       44.90     12.87 o
   1   2   4      718.24      780.55     11.31 o
   2   2   4       20.42       31.25      8.98 o
   3   2   4      525.96      508.97     10.23 o
   4   2   4       16.15       30.14     10.33 o
   0   3   4       99.80       73.08     12.53 o
   1   3   4       20.40       22.32      8.79 o
   2   3   4      155.15      145.44      9.04 o
   3   3   4        7.99       13.50      9.44 o
   4   3   4       26.67       26.42     11.64 o
   0   4   4     7491.88     7831.49    153.29 o
   1   4   4      838.67      884.05     15.87 o
   2   4   4     3415.41     3622.50     57.08 o
   3   4   4      434.70      412.32     10.81 o
   4   4   4     3573.83     3214.10     84.24 o
   0   5   4       18.18       31.12     12.58 o
   1   5   4      737.57      798.40     17.60 o
   2   5   4      302.48      266.76      9.48 o
   3   5   4      595.35      583.81     16.07 o
   4   5   4        7.88       19.38     11.58 o
   0   6   4       99.92      107.72     12.79 o
   1   6   4      792.11      802.94     18.29 o
   2   6   4      134.38      126.27      9.77 o
   3   6   4      597.12      545.73     14.13 o
   4   6   4       43.11       44.02     15.76 o
   0   7   4      137.20      110.28     11.99 o
   1   7   4      111.73      101.29      8.35 o
   2   7   4       35.83       38.63      9.85 o
   3   7   4      118.16       86.94     11.59 o
   0   8   4     1703.93     1911.70     71.97 o
   1   8   4      261.61      262.09      9.92 o
   2   8   4     2709.64     2655.03     65.33 o
   3   8   4      272.49      210.86     20.82 o
   0   9   4       97.03       93.15     12.87 o
   1   9   4      737.45      684.61     18.51 o
   2   9   4        2.90        0.93     10.12 o
   0   0   5      440.93      594.68     29.74 o
   1   0   5      120.00       91.80     12.45 o
   2   0   5      999.69     1066.42     39.56 o
   3   0   5       33.82       40.13     14.38 o
   4   0   5      311.61      286.21     19.16 o
   0   1   5      418.58      512.60     14.44 o
   1   1   5      111.11      112.12      9.52 o
   2   1   5     1267.16     1194.89     26.46 o
   3   1   5      103.67       97.70     10.66 o
   4   1   5      242.41      232.45     19.67 o
   0   2   5       53.46       47.29     12.31 o
   1   2   5     1302.01     1385.86     27.07 o
   2   2   5       55.70       70.31      9.92 o
   3   2   5      970.77      924.51     22.48 o
   4   2   5       34.09       25.41     42.90 o
   0   3   5     1660.48     1652.42     51.99 o
   1   3   5      192.34      207.25      9.89 o
   2   3   5      400.73      457.95     11.37 o
   3   3   5      128.51      119.84     10.84 o
   0   4   5     1065.74     1083.09     38.46 o
   1   4   5       55.62       75.32      9.27 o
   2   4   5      397.79      426.92     11.25 o
   3   4   5       75.96       46.31     10.25 o
   0   5   5      896.14      821.16     25.51 o
   1   5   5       32.71       34.78      9.22 o
   2   5   5      222.39      222.34      9.82 o
   3   5   5       15.82       27.70     11.46 o
   0   6   5       74.89       55.26     13.60 o
   1   6   5     1016.94      984.70     21.50 o
   2   6   5       42.15       44.09     10.26 o
   0   7   5      463.93      475.31     15.70 o
   1   7   5      280.16      246.20      9.92 o
   0   8   5      311.59      296.30     20.50 o
   0   0   6        9.39       12.39     18.98 o
   1   0   6      980.52      936.60     43.12 o
   2   0   6       45.71       28.85     13.87 o
   0   1   6      596.98      522.94     18.56 o
   1   1   6      687.09      666.10     16.78 o
   2   1   6       80.83       99.84     10.45 o
   0   2   6      114.43       98.39     14.06 o
   1   2   6      112.73      107.65     10.40 o
   2   2   6       99.81       81.24     12.27 o
   0   3   6        4.97        9.11     13.01 o
   1   3   6      975.29      876.43     21.63 o
   0   4   6       17.62       -0.72     13.29 o
   1   4   6      828.56      767.30     22.45 o