#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:23:45 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180859 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/90/2019038.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2019038_Fobs
loop_
_publ_author_name
'Stetskiv, Andrij'
'Rozdzynska-Kielbik, Beata'
'Pavlyuk, Volodymyr'
_publ_section_title
;
 Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered
 derivatives of the Cr~23~C~6~ structure type
;
_journal_coeditor_code           KU3095
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              683
_journal_page_last               688
_journal_volume                  69
_journal_year                    2013
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.5365
_cell_length_b                   13.5365
_cell_length_c                   13.5365
_exptl_crystal_F_000             5476.00
_reflns_d_resolution_high        0.7713
_cod_data_source_file            ku3095Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' tm3co6sn20 in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            2523.69
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
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 2 2 14943.26 15091.15 605.11 o
2 2 2 12670.21 11146.48 1521.64 o
1 1 3 16424.68 17015.81 843.46 o
1 3 3 6635.54 9274.03 861.42 o
3 3 3 6368986.50 6501888.00 100626.27 o
0 0 4 7936.15 7166.71 1594.64 o
0 2 4 107181.64 109286.89 1213.07 o
2 2 4 447528.81 432601.84 1797.87 o
0 4 4 2131696.00 2168775.25 20540.84 o
2 4 4 219389.17 242101.69 2264.35 o
4 4 4 56985.84 60772.97 1650.94 o
1 1 5 1347853.25 1402464.75 3877.77 o
1 3 5 246849.70 248945.13 1860.55 o
3 3 5 63271.13 60912.27 1064.13 o
1 5 5 75792.92 70149.69 1449.60 o
3 5 5 7296.61 7642.29 934.67 o
5 5 5 1089298.38 1213898.38 16012.04 o
0 0 6 2913027.25 2808568.00 21303.80 o
0 2 6 2964.93 2290.71 879.63 o
2 2 6 813430.25 849984.44 4503.18 o
0 4 6 110812.85 115762.83 1523.92 o
2 4 6 997.27 1319.39 476.45 o
4 4 6 105.95 329.84 696.34 o
0 6 6 3701984.50 3747678.50 23459.71 o
2 6 6 50661.96 56041.84 2347.30 o
4 6 6 596.04 1246.08 1227.76 o
6 6 6 380034.53 389313.75 5192.08 o
1 1 7 135186.63 125734.25 1579.71 o
1 3 7 62630.70 66275.77 1045.59 o
3 3 7 7233.96 7532.27 366.53 o
1 5 7 190738.56 184462.59 1525.24 o
3 5 7 125070.19 137310.50 1358.42 o
5 5 7 321548.72 309288.53 4195.49 o
1 7 7 25143.77 23793.13 1576.43 o
3 7 7 240647.61 235613.11 2481.30 o
5 7 7 373950.72 392898.03 3552.22 o
7 7 7 882.26 1191.11 2547.14 o
0 0 8 912977.00 804765.56 5316.89 o
0 2 8 109266.03 109032.98 1339.97 o
2 2 8 465413.28 418446.16 3727.56 o
0 4 8 59134.55 54818.87 1980.74 o
2 4 8 426986.91 448417.25 2433.34 o
4 4 8 1681091.63 1660576.88 5992.83 o
0 6 8 53585.90 55708.85 1540.34 o
2 6 8 44232.82 44975.59 1063.43 o
4 6 8 92212.79 95449.41 1302.50 o
6 6 8 9532.68 12462.07 1612.74 o
0 8 8 331875.56 327706.31 7155.64 o
2 8 8 400307.53 399735.63 3092.59 o
4 8 8 141860.27 124140.81 3945.93 o
6 8 8 126.18 146.60 1520.94 o
8 8 8 1170892.25 1093939.38 13861.64 o
1 1 9 100205.55 107516.05 1853.41 o
1 3 9 66481.62 66835.02 1100.47 o
3 3 9 1381175.38 1281426.75 8132.14 o
1 5 9 4847.91 4379.85 989.59 o
3 5 9 3763.41 4892.89 659.72 o
5 5 9 135338.47 127516.85 2551.07 o
1 7 9 7028.43 8136.78 989.61 o
3 7 9 115386.66 109355.31 1504.55 o
5 7 9 2614.27 2492.22 1099.51 o
7 7 9 30147.03 28246.72 1869.67 o
1 9 9 73.61 1612.57 1246.07 o
3 9 9 925536.50 886122.44 6177.91 o
5 9 9 1275.08 1374.36 1301.06 o
7 9 9 55651.39 57697.45 2236.76 o
9 9 9 278999.75 291837.22 6521.19 o
0 0 10 190598.30 182174.03 2902.44 o
0 2 10 353.55 1887.44 1081.16 o
2 2 10 98.47 311.52 842.93 o
0 4 10 33830.64 34849.35 1539.90 o
2 4 10 13613.97 14625.41 806.41 o
4 4 10 11543.33 11967.54 1649.43 o
0 6 10 232.37 623.04 1411.00 o
2 6 10 185618.72 194715.30 2166.77 o
4 6 10 25701.51 23828.55 1264.75 o
6 6 10 47877.01 44917.14 2071.69 o
0 8 10 90973.95 82813.70 2201.03 o
2 8 10 57631.17 63128.96 1485.17 o
4 8 10 267919.59 243632.61 2645.78 o
6 8 10 34215.15 30392.11 1649.75 o
8 8 10 33455.94 32499.34 2804.51 o
0 10 10 71935.28 71790.02 4034.18 o
2 10 10 94.92 1154.45 1465.97 o
4 10 10 18290.09 18236.06 2694.17 o
6 10 10 40389.25 48614.33 2694.69 o
8 10 10 24136.21 22763.84 3115.82 o
10 10 10 383.37 -4562.84 5424.10 o
1 1 11 299041.69 263700.66 2887.10 o
1 3 11 148924.05 168929.20 1652.03 o
3 3 11 92813.52 92323.30 1577.55 o
1 5 11 374014.84 384081.75 2723.07 o
3 5 11 156.03 164.92 311.52 o
5 5 11 242270.53 226940.69 3269.83 o
1 7 11 603134.25 596232.50 4056.13 o
3 7 11 152168.22 155500.38 2202.29 o
5 7 11 52.52 91.62 421.47 o
7 7 11 308537.59 273423.22 3675.29 o
1 9 11 7083.03 8356.58 1667.65 o
3 9 11 25068.09 23790.90 1722.92 o
5 9 11 1823.51 1832.49 568.07 o
7 9 11 59.29 494.76 403.14 o
9 9 11 584.67 732.99 1227.75 o
1 11 11 1140.53 3536.68 2437.20 o
3 11 11 82476.15 81639.59 3300.79 o
5 11 11 585922.06 632847.63 6353.34 o
7 11 11 48062.19 47314.46 3391.39 o
0 0 12 1387327.38 1335161.25 12091.32 o
0 2 12 83820.55 77803.71 2237.64 o
2 2 12 18678.63 18401.59 1631.22 o
0 4 12 417106.34 450840.34 3680.93 o
2 4 12 10435.53 8796.76 1301.19 o
4 4 12 2716.54 3555.07 1594.28 o
0 6 12 399809.84 407946.72 3550.72 o
2 6 12 8598.93 10079.39 934.63 o
4 6 12 205994.36 220716.06 2497.08 o
6 6 12 712769.75 678475.00 6308.14 o
0 8 12 29067.21 22912.00 2511.16 o
2 8 12 486.85 971.21 1172.78 o
4 8 12 158783.66 152882.69 2257.18 o
6 8 12 123.62 -384.82 586.39 o
8 8 12 17998.65 25951.57 3225.62 o
0 10 12 342047.94 357134.28 5201.43 o
2 10 12 3086.39 2730.44 678.03 o
4 10 12 22565.54 23313.40 2126.06 o
6 10 12 4498.49 5515.91 568.08 o
8 10 12 7957.10 7110.40 1685.97 o
0 12 12 1138702.25 1188946.50 13705.38 o
2 12 12 21069.39 20233.86 3372.31 o
4 12 12 2530.87 2693.77 3188.55 o
1 1 13 3284.77 1044.54 1539.32 o
1 3 13 1109.60 1062.84 568.07 o
3 3 13 116127.34 130014.36 2550.02 o
1 5 13 51083.55 54982.54 1540.02 o
3 5 13 4435.13 5515.94 641.39 o
5 5 13 1092.18 2803.69 1557.61 o
1 7 13 45258.71 40330.88 1906.55 o
3 7 13 31.43 -54.97 109.95 o
5 7 13 4514.77 4947.84 769.66 o
7 7 13 57.64 -659.69 2547.12 o
1 9 13 4097.34 3371.85 787.99 o
3 9 13 67526.61 65346.74 2181.89 o
5 9 13 15179.60 16787.47 1172.92 o
7 9 13 11070.52 12681.77 1117.90 o
1 11 13 4921.84 2217.37 1704.26 o
3 11 13 7615.19 8979.61 788.01 o
0 0 14 90126.80 86787.16 4456.74 o
0 2 14 62218.01 64394.18 2255.26 o
2 2 14 77735.16 83034.78 2383.95 o
0 4 14 95424.08 96674.73 3007.90 o
2 4 14 96701.03 89100.39 2677.78 o
4 4 14 388477.53 413766.34 4873.03 o
0 6 14 4300.11 6817.02 2840.42 o
2 6 14 80734.09 72599.26 2292.22 o
4 6 14 70900.84 66577.82 2383.67 o
6 6 14 29859.81 26045.85 3482.56 o
0 8 14 34382.68 42800.56 3427.71 o
2 8 14 100203.29 104355.99 2622.65 o
4 8 14 40881.87 34718.68 2438.01 o
6 8 14 3716.55 3371.83 1301.09 o
0 10 14 83597.89 86147.68 3997.49 o
2 10 14 9904.56 11178.91 1502.74 o
1 1 15 11068.28 9731.34 2382.44 o
1 3 15 100317.30 102287.76 2182.58 o
3 3 15 239527.08 241090.53 3893.00 o
1 5 15 110.76 109.95 366.49 o
3 5 15 11454.69 10006.22 1136.24 o
5 5 15 147.67 2308.90 1099.48 o
1 7 15 63247.05 63015.07 2970.16 o
3 7 15 238760.19 248037.00 3451.84 o
5 7 15 24212.15 25824.45 2950.84 o
1 9 15 4213.95 5387.62 897.94 o
0 0 16 255172.22 236080.63 7143.94 o
0 2 16 797.86 604.72 458.12 o
2 2 16 71.97 3445.03 1887.44 o
0 4 16 2445.55 1740.87 2418.90 o
2 4 16 60957.05 57036.94 2255.08 o
4 4 16 112200.71 128959.37 7978.57 o
0 6 16 342232.78 354049.53 5476.04 o
2 6 16 1581.80 879.59 2034.06 o
4 6 16 2733.68 1575.95 952.90 o
1 1 17 169693.63 181097.30 4165.48 o
1 3 17 27404.62 22800.88 2346.07 o
3 3 17 4668.58 3756.68 4104.87 o