data_2020011
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.0523(7)
_cell_length_b                   4.0523(7)
_cell_length_c                   21.885(3)
_exptl_crystal_F_000             348
_reflns_d_resolution_high        0.7273
_cod_data_source_file            fa3364Vsup6.hkl
_cod_data_source_block           V
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            273.22
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'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+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'-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+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'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+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-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+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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
-1 2 0 57777.10 53880.00 958.39 o
0 3 0 29007.70 28721.70 727.34 o
-2 4 0 22779.40 22320.90 459.56 o
-1 5 0 12461.50 13044.20 531.13 o
-1 1 1 14034.10 14085.10 276.93 o
0 2 1 10471.30 10176.70 234.30 o
-2 3 1 8151.40 8383.87 149.88 o
-4 4 1 4498.45 4379.62 251.32 o
-1 4 1 5378.70 5424.22 172.28 o
-3 5 1 3813.77 4095.95 181.47 o
0 1 2 19979.70 19374.30 400.39 o
-2 2 2 13552.10 13431.20 276.58 o
-1 3 2 9573.36 9564.25 170.69 o
-3 4 2 5658.58 5795.03 164.23 o
0 4 2 4589.83 4556.00 215.66 o
-2 5 2 3803.53 3920.63 172.35 o
-1 2 3 16284.00 16064.30 221.38 o
-3 3 3 9705.42 9418.90 213.35 o
0 3 3 9705.42 9310.25 242.68 o
-2 4 3 7902.75 8029.60 185.60 o
-4 5 3 4678.91 5094.41 336.91 o
-1 5 3 4678.91 4906.42 244.04 o
-1 1 4 75256.50 74649.10 1376.91 o
0 2 4 45289.10 44134.90 760.24 o
-2 3 4 32335.10 32307.10 446.89 o
-4 4 4 16078.80 16363.20 515.84 o
-1 4 4 19775.40 19797.10 393.92 o
-3 5 4 13246.00 13810.40 667.18 o
0 1 5 7871.12 7746.74 151.59 o
-2 2 5 6457.81 6618.22 177.17 o
-1 3 5 5158.03 5182.02 101.11 o
-3 4 5 3478.95 3558.01 138.77 o
0 4 5 2939.04 2760.47 153.76 o
-2 5 5 2519.46 2792.02 174.06 o
0 0 6 23720.80 25426.20 1183.71 o
-1 2 6 15700.20 15873.10 208.53 o
-3 3 6 8282.57 8419.33 290.36 o
0 3 6 8282.57 8097.89 191.02 o
-2 4 6 6506.45 6639.94 149.85 o
-4 5 6 3657.30 3932.08 286.75 o
-1 5 6 3657.30 3739.07 400.98 o
-1 1 7 24101.10 24691.20 520.69 o
0 2 7 17214.30 17069.80 330.78 o
-2 3 7 13381.50 13587.70 204.62 o
-4 4 7 7412.31 7455.72 311.30 o
-1 4 7 8881.75 9047.97 221.11 o
-3 5 7 6250.77 6715.34 577.00 o
0 1 8 52885.70 54967.30 889.90 o
-2 2 8 34911.20 35024.50 597.79 o
-1 3 8 25824.10 26146.60 339.05 o
-3 4 8 16208.70 16723.00 403.81 o
0 4 8 13259.30 13026.10 420.00 o
0 0 9 4491.78 4735.15 328.60 o
-1 2 9 3982.42 3900.21 87.20 o
-3 3 9 2676.45 2573.19 124.64 o
0 3 9 2676.45 2624.65 130.90 o
-2 4 9 2244.95 2180.12 91.14 o
-4 5 9 1466.79 1470.56 228.53 o
-1 5 9 1466.79 1517.39 239.78 o
-1 1 10 20348.40 21419.00 457.21 o
0 2 10 14135.50 14125.90 314.18 o
-2 3 10 10565.50 10465.20 203.70 o
-4 4 10 5507.46 5331.00 302.32 o
-1 4 10 6684.72 6473.70 191.29 o
0 1 11 22537.40 23980.20 486.05 o
-2 2 11 17035.20 17039.10 354.79 o
-1 3 11 13566.80 13628.70 242.98 o
-3 4 11 9190.87 8855.07 293.10 o
0 4 11 7706.30 7469.50 348.14 o
0 0 12 37576.00 42923.40 2022.84 o
-1 2 12 26098.50 26741.80 370.07 o
-3 3 12 15556.20 14428.80 461.10 o
0 3 12 15556.20 14712.50 431.80 o
-2 4 12 12586.70 12649.20 321.48 o
-1 1 13 2678.56 2828.81 109.72 o
0 2 13 2231.74 2174.35 100.06 o
-2 3 13 1856.68 1833.92 80.52 o
-4 4 13 1196.54 1233.69 152.32 o
-1 4 13 1360.59 1295.16 87.15 o
0 1 14 19120.80 20269.00 441.38 o
-2 2 14 14173.40 13563.20 356.76 o
-1 3 14 11054.20 10917.60 228.26 o
-3 4 14 7292.49 7516.89 270.48 o
0 4 14 6064.80 6084.96 391.53 o
0 0 15 20004.10 20818.70 785.38 o
-1 2 15 15649.20 15522.80 263.55 o
-3 3 15 10440.90 10257.80 368.02 o
0 3 15 10440.90 9586.80 383.68 o
-2 4 15 8712.23 9148.69 271.88 o
-1 1 16 18940.80 18629.50 515.78 o
0 2 16 14483.80 14836.20 391.62 o
-2 3 16 11506.10 11226.50 280.44 o
-4 4 16 6448.73 6312.91 541.04 o
-1 4 16 7723.78 7940.18 325.38 o
0 1 17 1857.77 1665.92 126.86 o
-2 2 17 1556.82 1575.09 114.10 o
-1 3 17 1327.80 1350.33 85.26 o
-3 4 17 1022.49 896.38 124.26 o
0 0 18 19130.50 20234.70 744.84 o
-1 2 18 14807.20 14681.70 317.14 o
-3 3 18 9669.40 9907.00 434.86 o
0 3 18 9669.40 9274.74 403.15 o
-2 4 18 8001.43 8244.77 446.67 o
-1 1 19 13212.40 12635.10 396.99 o
0 2 19 10816.00 10760.60 436.01 o
-2 3 19 8983.42 8647.79 245.90 o
-1 4 19 6380.10 6117.57 387.10 o
0 1 20 10440.80 10650.30 437.67 o
-2 2 20 8329.01 8472.99 327.75 o
-1 3 20 6797.69 6839.43 233.52 o
-3 4 20 4724.94 4067.70 424.38 o
0 0 21 1670.48 1798.15 153.27 o
-1 2 21 1423.19 1428.13 88.43 o
-3 3 21 1090.14 1049.30 123.45 o
0 3 21 1090.14 1170.68 163.29 o
-1 1 22 15343.80 15872.30 493.00 o
0 2 22 12456.20 11071.00 454.51 o
-2 3 22 10255.80 10343.50 276.96 o
0 1 23 8389.14 9060.95 411.14 o
-2 2 23 7018.39 7087.92 303.23 o
-1 3 23 5927.60 6481.35 293.05 o
0 0 24 6119.30 6074.23 535.14 o
-1 2 24 5008.25 5139.46 207.37 o
-1 1 25 1595.98 1591.72 149.96 o
0 2 25 1394.19 1116.95 222.26 o
-2 3 25 1233.31 1709.56 281.89 o
0 1 26 12549.30 12443.90 516.83 o
-2 2 26 10388.20 10156.80 531.04 o
0 0 27 4940.23 5218.43 512.23 o