data_2020014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.9935(4)
_cell_length_b                   3.9935(4)
_cell_length_c                   21.866(2)
_exptl_crystal_F_000             357
_reflns_d_resolution_high        0.7307
_cod_data_source_file            fa3364VIIIsup9.hkl
_cod_data_source_block           VIII
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            297.65
_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
0 0 3 28797.90 21097.80 1039.88 o
0 0 6 26750.40 20336.30 596.92 o
0 0 9 5639.14 4439.30 249.13 o
0 0 12 39488.40 35698.70 1037.43 o
0 0 15 22567.50 21002.30 613.84 o
0 0 18 21027.60 21305.80 764.11 o
0 0 21 2306.00 3128.59 427.31 o
0 0 24 5941.56 6780.99 677.28 o
0 0 27 5314.37 6265.63 676.62 o
1 0 -29 2256.30 2385.99 561.85 o
1 0 -26 13124.20 15164.90 644.26 o
1 0 -23 9184.91 10562.00 487.60 o
1 0 -20 10541.00 10476.20 411.52 o
1 0 -17 2521.25 2474.95 177.14 o
1 0 -14 21432.70 19472.10 334.41 o
1 0 -11 25579.90 23346.50 400.00 o
1 0 -8 56162.00 57512.90 707.44 o
1 0 -5 9417.66 9524.14 175.56 o
1 0 -2 22785.00 23979.30 321.78 o
1 0 1 16245.70 17903.70 238.08 o
1 0 4 79936.80 88593.50 1040.64 o
1 0 7 27414.40 28423.20 446.84 o
1 0 10 23035.20 23370.50 403.03 o
1 0 13 3513.73 3307.18 133.62 o
1 0 16 19660.20 18599.70 441.34 o
1 0 19 14702.60 15204.10 476.02 o
1 0 22 16521.30 19110.10 695.44 o
1 0 25 2166.04 2572.13 239.42 o
1 0 28 3085.44 4246.28 459.76 o
2 -1 0 62152.40 65416.90 683.93 o
2 -1 3 18740.00 20189.00 197.77 o
2 -1 6 18109.20 19288.60 221.53 o
2 -1 9 4960.97 5020.55 116.98 o
2 -1 12 27730.90 27827.00 359.79 o
2 -1 15 17600.10 17333.40 275.20 o
2 -1 18 16400.80 15371.00 322.55 o
2 -1 21 1932.55 1851.64 125.90 o
2 -1 24 4910.01 5352.41 243.54 o
2 -1 27 4512.37 5563.21 654.81 o
2 0 -25 1867.08 1923.94 302.35 o
2 0 -22 13504.00 12043.80 552.03 o
2 0 -19 11997.20 11543.30 461.85 o
2 0 -16 15150.60 14022.50 431.51 o
2 0 -13 2882.90 2873.21 134.98 o
2 0 -10 16238.70 16715.50 296.86 o
2 0 -7 19680.90 21107.70 306.51 o
2 0 -4 48946.00 49103.90 677.43 o
2 0 -1 12255.50 12368.20 239.94 o
2 0 2 15802.70 16160.30 250.17 o
2 0 5 7748.28 7752.49 164.99 o
2 0 8 37583.30 38978.50 492.41 o
2 0 11 19331.00 19001.90 314.59 o
2 0 14 16046.60 15736.50 304.09 o
2 0 17 2077.52 2045.00 124.38 o
2 0 20 8476.77 7553.58 313.36 o
2 0 23 7662.03 7597.44 387.23 o
2 0 26 10940.00 11566.40 1461.07 o
3 -1 -23 6460.90 6538.19 581.85 o
3 -1 -20 6978.30 7025.73 292.27 o
3 -1 -17 1748.32 1843.43 113.88 o
3 -1 -14 12625.90 13023.40 294.34 o
3 -1 -11 15373.70 15686.90 271.33 o
3 -1 -8 28062.70 29490.80 393.51 o
3 -1 -5 6167.36 6186.70 125.29 o
3 -1 -2 11343.30 11669.70 175.04 o
3 -1 1 9545.43 10055.50 165.04 o
3 -1 4 35340.00 36240.10 358.51 o
3 -1 7 15302.60 15686.20 216.98 o
3 -1 10 12275.20 12116.60 208.73 o
3 -1 13 2369.93 2425.33 92.02 o
3 -1 16 12128.10 12238.50 271.41 o
3 -1 19 9945.14 9310.12 278.50 o
3 -1 22 11197.80 11009.20 425.14 o
3 0 -21 1441.79 1553.34 335.07 o
3 0 -18 10871.70 11918.70 616.44 o
3 0 -15 11699.00 11755.10 447.84 o
3 0 -12 16792.50 17385.70 452.36 o
3 0 -9 3280.61 3246.06 137.31 o
3 0 -6 9823.09 9512.05 255.10 o
3 0 -3 11203.20 10644.90 317.09 o
3 0 0 31947.20 31910.10 446.30 o
3 0 3 11203.20 11210.60 284.33 o
3 0 6 9823.08 9994.38 347.55 o
3 0 9 3280.61 3489.06 183.36 o
3 0 12 16792.50 17199.50 649.66 o
3 0 15 11699.10 11886.20 404.00 o
3 0 18 10871.70 11134.60 412.77 o
3 0 21 1441.79 1421.35 185.52 o
4 -2 0 25280.70 24552.10 557.51 o
4 -2 3 9113.54 9297.49 220.84 o
4 -2 6 7799.88 7672.42 211.24 o
4 -2 9 2736.19 2712.42 128.44 o
4 -2 12 13688.20 14414.30 314.25 o
4 -2 15 9757.36 9482.02 300.19 o
4 -2 18 9064.65 9163.66 431.09 o
4 -1 -19 7057.24 8373.14 837.10 o
4 -1 -16 8274.15 8383.42 342.44 o
4 -1 -13 1707.68 1760.56 112.02 o
4 -1 -10 7915.40 7942.28 245.13 o
4 -1 -7 10143.30 9920.47 284.57 o
4 -1 -4 21954.40 21143.30 452.35 o
4 -1 -1 6275.74 5966.19 192.87 o
4 -1 2 6868.15 6502.26 191.98 o
4 -1 5 4129.48 3984.90 159.52 o
4 -1 8 17878.90 17640.00 402.62 o
4 -1 11 10400.20 10338.40 303.87 o
4 -1 14 8467.79 9104.84 299.63 o
4 -1 17 1318.46 1378.82 201.95 o
4 0 -14 7099.24 7356.89 676.78 o
4 0 -11 8723.91 8803.33 488.82 o
4 0 -8 14731.50 14638.50 568.85 o
4 0 -5 3480.94 3369.44 268.16 o
4 0 -2 5628.39 5073.75 332.17 o
4 0 1 5243.15 4739.82 279.68 o
4 0 4 17976.60 17284.10 592.87 o
4 0 7 8465.82 8560.46 405.54 o
4 0 10 6579.20 6929.19 376.56 o
4 0 13 1492.81 1224.39 219.90 o
4 0 16 6966.89 6835.89 903.04 o
5 -2 -11 7387.62 7864.97 724.62 o
5 -2 -8 12283.30 11367.00 608.28 o
5 -2 -5 2980.96 2908.70 224.20 o
5 -2 -2 4709.80 4655.42 301.76 o
5 -2 1 4444.77 4369.78 269.38 o
5 -2 4 14915.30 15028.60 581.30 o
5 -2 7 7145.34 7383.89 423.51 o
5 -2 10 5545.85 5637.29 418.69 o
5 -1 -6 4509.42 4554.95 707.24 o
5 -1 -3 5399.00 5107.41 451.06 o
5 -1 0 14126.30 12989.50 741.77 o
5 -1 3 5399.00 5540.69 563.62 o
5 -1 6 4509.42 4697.72 523.63 o