#------------------------------------------------------------------------------
#$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $
#$Revision: 88054 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/90/2019039.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_2019039_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                   13.5371
_cell_length_b                   13.5371
_cell_length_c                   13.5371
_exptl_crystal_F_000             4948.00
_reflns_d_resolution_high        0.7713
_[local]_cod_data_source_file    ku3095IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' TmCo6Li2Sn20 in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            2468.14
_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 157230.75 164849.69 3251.14 o
2 2 2 125373.98 120118.13 1192.47 o
1 1 3 17626.14 18687.62 674.77 o
1 3 3 8796.07 9322.25 658.80 o
3 3 3 6091732.00 6401912.50 69776.49 o
0 0 4 34926.17 33310.54 1958.65 o
0 2 4 5811.25 6137.53 1438.99 o
2 2 4 196526.36 184029.78 1777.92 o
0 4 4 1603690.75 1715629.75 11577.32 o
2 4 4 378200.53 352876.16 4688.40 o
4 4 4 5976.88 6714.24 883.34 o
1 1 5 1234192.13 1176844.13 7940.61 o
1 3 5 243803.67 232318.25 1567.91 o
3 3 5 61571.69 59924.57 843.14 o
1 5 5 91935.80 91146.13 1002.34 o
3 5 5 7891.69 7561.86 784.66 o
5 5 5 948151.13 975373.06 12106.06 o
0 0 6 3549024.50 3280897.75 22063.89 o
0 2 6 33776.97 37027.28 715.83 o
2 2 6 539778.00 568446.69 3835.59 o
0 4 6 161322.23 151169.39 1185.59 o
2 4 6 31852.75 32973.71 588.78 o
4 4 6 14089.34 12920.96 784.90 o
0 6 6 2734606.75 2872480.00 19380.86 o
2 6 6 18609.66 20785.33 1243.62 o
4 6 6 5631.10 5165.67 953.83 o
6 6 6 405996.13 395169.31 3851.41 o
1 1 7 89976.48 84238.51 1193.22 o
1 3 7 69896.20 66678.10 787.49 o
3 3 7 164.87 220.01 476.28 o
1 5 7 180635.83 176869.13 1193.84 o
3 5 7 99045.20 104199.92 973.66 o
5 5 7 185380.66 178464.80 2567.56 o
1 7 7 17733.79 16730.81 3454.44 o
3 7 7 192277.30 205967.41 1813.29 o
5 7 7 321874.47 298262.16 2579.73 o
7 7 7 6238.25 4616.24 1951.63 o
0 0 8 627059.13 615157.88 4402.56 o
0 2 8 36733.79 36072.44 1554.76 o
2 2 8 301260.25 318090.59 6496.54 o
0 4 8 106490.30 110142.12 1502.52 o
2 4 8 464288.75 496465.56 3350.56 o
4 4 8 1354515.38 1288338.63 8692.55 o
0 6 8 53999.58 51064.95 1176.82 o
2 6 8 70285.37 73710.71 829.32 o
4 6 8 57791.80 58038.41 1013.01 o
6 6 8 14435.05 15898.22 1204.67 o
0 8 8 294288.00 310451.00 4461.20 o
2 8 8 347993.06 329340.63 2418.12 o
4 8 8 90672.05 83683.59 3171.81 o
6 8 8 2697.71 2494.70 1174.06 o
8 8 8 870702.81 839152.94 10799.57 o
1 1 9 98751.72 104211.39 1559.22 o
1 3 9 64968.50 63797.53 856.28 o
3 3 9 1172819.25 1070240.50 7220.88 o
1 5 9 7940.90 7276.21 813.16 o
3 5 9 4723.43 3905.00 546.48 o
5 5 9 89543.27 96941.18 1888.31 o
1 7 9 11962.49 10715.98 840.04 o
3 7 9 100885.06 95787.38 1150.01 o
5 7 9 9196.15 8204.60 853.95 o
7 7 9 10761.09 11328.32 1438.71 o
1 9 9 2378.86 1244.67 969.01 o
3 9 9 616545.06 646789.56 4661.83 o
5 9 9 1295.36 956.68 1010.59 o
7 9 9 17529.96 17071.84 1719.46 o
9 9 9 226486.88 244165.86 5123.42 o
0 0 10 107946.04 111438.11 2340.65 o
0 2 10 1554.50 1191.34 839.70 o
2 2 10 86.69 149.55 1508.14 o
0 4 10 64092.89 63296.37 1189.80 o
2 4 10 3699.74 4537.60 644.78 o
4 4 10 8320.12 6587.98 2118.84 o
0 6 10 2032.13 1029.58 1104.31 o
2 6 10 127478.28 134394.28 1529.97 o
4 6 10 10778.61 10835.73 983.09 o
6 6 10 11512.93 11674.78 1650.14 o
0 8 10 61830.70 62101.17 1695.61 o
2 8 10 31761.33 29300.75 1146.81 o
4 8 10 200298.95 190394.83 2076.52 o
6 8 10 32618.55 31505.84 1273.74 o
8 8 10 14000.10 14440.13 2150.78 o
0 10 10 42926.59 40852.23 3082.06 o
2 10 10 1828.45 1029.49 1131.59 o
4 10 10 12192.66 12959.42 1951.93 o
6 10 10 24252.25 25820.41 1993.59 o
8 10 10 16300.06 13112.40 2162.49 o
10 10 10 3511.53 2861.16 4130.94 o
1 1 11 283197.94 298968.59 2215.12 o
1 3 11 130461.07 127878.47 1235.96 o
3 3 11 39425.61 41692.01 1217.40 o
1 5 11 231072.70 250156.17 2023.87 o
3 5 11 2216.02 2259.60 264.03 o
5 5 11 183318.88 183879.98 2959.02 o
1 7 11 427101.44 451414.03 3053.43 o
3 7 11 150640.97 156359.14 1797.90 o
5 7 11 2297.08 2764.87 366.81 o
7 7 11 198976.77 206020.50 2802.59 o
1 9 11 7918.06 8643.17 1285.63 o
3 9 11 20424.71 21832.48 1326.83 o
5 9 11 9914.11 10333.54 742.41 o
7 9 11 679.97 566.69 348.38 o
9 9 11 2342.16 2230.59 953.64 o
1 11 11 2926.70 2643.40 1867.99 o
3 11 11 63156.69 63964.27 2523.76 o
5 11 11 370809.97 351853.41 4612.56 o
7 11 11 3376.33 4929.63 2589.47 o
0 0 12 944640.19 1019070.31 10613.65 o
0 2 12 76325.77 79842.19 1696.72 o
2 2 12 31485.88 31661.66 1257.08 o
0 4 12 395694.38 369444.75 2824.99 o
2 4 12 10753.45 11834.47 997.03 o
4 4 12 7403.17 6931.20 1229.86 o
0 6 12 324919.28 307322.41 2745.16 o
2 6 12 770.21 1191.16 756.93 o
4 6 12 144174.91 153738.81 1919.01 o
6 6 12 412913.56 403754.22 4537.65 o
0 8 12 14579.33 14398.47 1924.28 o
2 8 12 1590.62 1482.77 896.57 o
4 8 12 106886.19 114684.64 1710.66 o
6 8 12 121.77 13.66 1853.36 o
8 8 12 14022.45 15326.55 2468.97 o
0 10 12 180443.94 178632.34 4013.65 o
2 10 12 4678.17 4780.11 573.96 o
4 10 12 16457.08 18659.86 1636.58 o
6 10 12 5262.52 6150.60 448.79 o
8 10 12 4741.99 5354.91 1313.30 o
0 12 12 667121.50 621596.25 12641.82 o
2 12 12 14469.89 14986.45 2576.63 o
4 12 12 371.46 -1468.81 2441.00 o
1 1 13 3269.95 4397.13 4437.24 o
1 3 13 377.01 396.85 504.28 o
3 3 13 58514.80 56189.45 1955.08 o
1 5 13 23776.67 24644.00 1187.53 o
3 5 13 4047.26 4176.65 546.44 o
5 5 13 2919.04 2453.06 982.78 o
1 7 13 19783.43 21725.91 1466.97 o
3 7 13 1096.48 1412.18 798.86 o
5 7 13 841.43 1082.02 602.92 o
7 7 13 2765.22 5009.93 5420.36 o
1 9 13 1430.35 942.97 560.44 o
3 9 13 20353.69 22773.62 1681.40 o
5 9 13 4053.97 3287.09 939.81 o
7 9 13 765.98 -109.32 869.45 o
1 11 13 2514.64 2067.22 1313.22 o
3 11 13 2249.19 1918.60 616.59 o
0 0 14 22455.83 26035.64 3844.01 o
0 2 14 37745.59 35782.99 1720.64 o
2 2 14 38359.09 40335.18 1842.60 o
0 4 14 89729.18 86832.76 2350.31 o
2 4 14 73189.55 72521.83 2027.04 o
4 4 14 258640.14 282915.44 3662.19 o
0 6 14 11140.25 14109.56 2176.27 o
2 6 14 70928.61 68854.70 1764.47 o
4 6 14 52318.36 52674.57 1829.62 o
6 6 14 51780.78 46984.60 2663.77 o
0 8 14 34405.36 33374.92 2620.66 o
2 8 14 66371.10 64492.54 1996.02 o
4 8 14 15856.68 17656.33 1868.69 o
6 8 14 444.67 -701.49 1010.55 o
0 10 14 56052.59 59054.62 3055.65 o
2 10 14 1239.32 764.81 1160.23 o
1 1 15 23357.92 24048.96 2023.77 o
1 3 15 90748.23 90524.64 1685.13 o
3 3 15 126102.61 129997.63 2767.74 o
1 5 15 403.30 286.17 292.79 o
3 5 15 3397.49 2778.07 883.09 o
5 5 15 8139.88 8287.68 853.86 o
1 7 15 48963.24 48612.28 2275.76 o
3 7 15 142721.69 144796.47 2642.75 o
5 7 15 14142.96 13750.88 2260.31 o
1 9 15 3495.27 2971.54 644.74 o
0 0 16 201384.47 187419.11 6164.43 o
0 2 16 251.93 -109.32 366.78 o
2 2 16 43.14 -149.55 1452.27 o
0 4 16 4125.26 6859.49 1923.59 o
2 4 16 21837.78 24240.03 1733.90 o
4 4 16 102317.83 97380.41 5243.57 o
0 6 16 126367.96 114652.53 4187.72 o
2 6 16 178.64 861.79 1565.51 o
4 6 16 918.54 1012.40 546.39 o
1 1 17 86992.97 80778.65 3182.52 o
1 3 17 18805.23 16358.55 1980.13 o
3 3 17 16232.85 13807.82 3134.32 o