data_1529333 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 9.6592 _cell_length_b 9.6592 _cell_length_c 9.6592 _exptl_crystal_F_000 1068.00 _reflns_d_resolution_high 0.7200 _cod_data_source_file Cs2RbDyF6_293K.fcf _cod_data_source_block a _shelx_title ' a in Fm-3m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 720.71 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 1 1 1 21297.81 20704.83 299.14 o 0 0 2 1891.65 7947.30 241.23 o 0 2 2 420483.34 420092.81 3717.86 o 2 2 2 15848.53 16775.86 221.55 o 1 1 3 9204.81 8102.33 75.98 o 1 3 3 4933.71 4248.85 51.20 o 3 3 3 3225.33 3474.01 87.38 o 0 0 4 519424.84 542332.81 6598.96 o 0 2 4 2356.57 3053.56 46.13 o 2 2 4 273089.84 270717.97 1783.75 o 0 4 4 301587.53 289504.44 2537.25 o 2 4 4 2494.52 2740.90 57.44 o 4 4 4 194145.92 190347.55 2433.68 o 1 1 5 16533.44 16620.76 137.42 o 1 3 5 10409.57 10408.39 73.94 o 3 3 5 7214.38 7316.19 95.49 o 1 5 5 10421.88 9769.47 122.80 o 3 5 5 7648.79 8022.45 119.38 o 5 5 5 6677.95 4947.69 216.17 o 0 0 6 1984.74 2253.72 99.67 o 0 2 6 185969.12 188111.62 1227.83 o 2 2 6 173.23 218.06 24.92 o 0 4 6 2328.58 2180.33 61.79 o 2 4 6 135155.39 133824.28 690.26 o 4 4 6 2612.61 2442.49 83.08 o 0 6 6 99102.62 95207.91 1205.53 o 2 6 6 1375.34 1483.70 67.20 o 4 6 6 74564.84 73613.05 644.14 o 6 6 6 2389.05 2167.56 170.00 o 1 1 7 3609.09 3495.18 76.00 o 1 3 7 3146.85 3039.14 52.93 o 3 3 7 2866.93 3637.11 89.98 o 1 5 7 4076.56 4069.49 73.74 o 3 5 7 3567.05 3507.00 74.15 o 5 5 7 3534.84 3965.09 115.10 o 1 7 7 2646.96 2634.76 103.96 o 3 7 7 2495.89 3147.64 111.63 o 5 7 7 2487.24 2222.30 108.76 o 7 7 7 1974.81 3261.39 248.89 o 0 0 8 131197.98 130277.13 2135.53 o 0 2 8 2569.06 2529.01 75.26 o 2 2 8 99801.17 99647.92 789.88 o 0 4 8 93938.22 90922.94 760.15 o 2 4 8 2802.97 2863.25 67.51 o 4 4 8 69011.84 67468.16 679.52 o 0 6 8 2881.41 2700.99 100.41 o 2 6 8 56584.70 55318.96 415.24 o 4 6 8 2950.09 2750.29 78.74 o 6 6 8 33450.48 34610.44 496.18 o 0 8 8 39125.68 38017.18 636.54 o 2 8 8 2919.55 3036.70 122.68 o 4 8 8 30103.76 30443.62 413.89 o 6 8 8 2672.68 2486.07 144.23 o 1 1 9 6609.09 6959.09 143.79 o 1 3 9 5340.69 5723.88 99.94 o 3 3 9 4456.26 4520.42 142.47 o 1 5 9 4350.19 4297.02 92.57 o 3 5 9 3723.36 4108.43 99.57 o 5 5 9 3097.29 2503.55 121.94 o 1 7 9 2781.06 2858.97 88.43 o 3 7 9 2513.01 2477.07 84.31 o 5 7 9 2190.77 2460.32 100.89 o 7 7 9 1690.13 1568.12 306.38 o 1 9 9 2167.79 1995.39 125.23 o 3 9 9 1969.62 2082.27 177.44 o 0 0 10 3191.74 3351.10 222.21 o 0 2 10 57793.46 59691.84 608.32 o 2 2 10 2639.01 2783.76 113.77 o 0 4 10 3136.79 3027.17 126.88 o 2 4 10 44014.38 44736.18 391.79 o 4 4 10 3037.88 2761.22 129.58 o 0 6 10 33790.61 33168.31 455.17 o 2 6 10 2759.11 2816.39 95.12 o 4 6 10 26241.95 26266.46 288.38 o 6 6 10 2544.68 2453.37 247.65 o 0 8 10 2713.58 2726.64 149.06 o 2 8 10 20533.02 20946.49 300.25 o 4 8 10 2524.45 2596.52 610.43 o 1 1 11 1896.37 1714.94 98.67 o 1 3 11 1864.14 1662.57 76.18 o 3 3 11 1818.54 1719.88 144.67 o 1 5 11 1865.65 1760.68 94.14 o 3 5 11 1779.18 1434.24 85.20 o 5 5 11 1656.29 1661.71 228.84 o 1 7 11 1585.59 1590.60 167.07 o 3 7 11 1507.83 1586.11 420.97 o 0 0 12 28828.74 29199.66 773.21 o 0 2 12 2492.32 2266.04 131.24 o 2 2 12 25150.36 26457.61 432.45 o 0 4 12 22690.30 22794.36 504.12 o 2 4 12 2476.82 2441.11 126.88 o 4 4 12 17939.75 19927.35 1300.38 o 0 6 12 2375.45 2242.58 844.84 o 1 1 13 2299.25 2104.18 170.96 o 1 3 13 2048.98 2613.95 663.44 o