data_2020123
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.6596
_cell_length_b                   4.6596
_cell_length_c                   7.4217
_exptl_crystal_F_000             235.00
_reflns_d_resolution_high        0.7054
_cod_data_source_file            sk3600NdLi3Bi2sup5.hkl
_cod_data_source_block           NdLi3Bi2
_shelx_title
' NdLi3Bi2 in P-3m1 after absorption correction and tidy'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            176.69
_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'
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 1 0 399.14 512.34 29.98 o
-1 2 0 31221.07 30948.72 277.33 o
0 2 0 305.00 293.77 22.05 o
-1 3 0 254.32 320.86 20.07 o
0 3 0 17886.32 17847.32 220.35 o
-2 4 0 14339.94 14110.41 212.02 o
-1 4 0 175.69 137.54 21.62 o
0 4 0 148.13 95.01 41.37 o
-2 5 0 126.63 147.26 27.53 o
-1 5 0 8229.51 8313.24 155.53 o
0 5 0 95.65 77.61 52.21 o
-3 6 0 5988.96 5880.73 246.62 o
-2 6 0 84.04 86.58 42.38 o
-1 6 0 74.15 40.91 64.18 o
0 0 1 2592.28 2687.60 58.90 o
-1 1 1 4744.59 4760.91 55.25 o
0 1 1 29232.81 30864.56 271.72 o
-2 2 1 20396.21 19544.59 196.61 o
-1 2 1 1706.18 1714.93 34.30 o
0 2 1 3448.89 3400.81 74.52 o
-3 3 1 989.50 952.59 46.49 o
-2 3 1 2725.58 2603.51 45.89 o
-1 3 1 15577.01 15367.29 130.61 o
0 3 1 989.50 1080.00 57.77 o
-4 4 1 1516.22 1498.02 89.58 o
-3 4 1 10116.05 9833.51 136.46 o
-2 4 1 808.13 804.60 40.99 o
-1 4 1 1813.88 1891.77 63.50 o
0 4 1 8406.73 8803.83 188.93 o
-5 5 1 5155.92 5018.74 316.53 o
-4 5 1 486.46 505.96 51.16 o
-3 5 1 1284.31 1350.03 68.43 o
-2 5 1 7077.90 6970.16 123.69 o
-1 5 1 486.46 475.73 49.14 o
0 5 1 948.76 958.74 105.41 o
-5 6 1 718.49 517.42 127.08 o
-4 6 1 4444.52 4394.77 236.35 o
-3 6 1 360.43 329.95 50.96 o
-2 6 1 823.76 881.21 81.66 o
-1 6 1 3850.66 3856.53 278.19 o
0 0 2 7983.70 8211.61 156.77 o
-1 1 2 13177.58 13177.24 153.56 o
0 1 2 14042.66 14008.56 142.77 o
-2 2 2 10004.37 9448.42 134.59 o
-1 2 2 5709.47 5665.60 61.15 o
0 2 2 9480.54 9319.29 119.15 o
-3 3 2 3595.65 3511.23 92.15 o
-2 3 2 7309.70 7247.84 80.84 o
-1 3 2 7640.64 7611.06 89.06 o
0 3 2 3595.65 3529.17 110.21 o
-4 4 2 3990.29 3587.48 137.10 o
-3 4 2 4919.10 4909.41 90.67 o
-2 4 2 2946.82 3169.79 72.62 o
-1 4 2 4790.61 4773.21 82.20 o
0 4 2 4066.14 4466.92 135.34 o
-5 5 2 2455.68 2380.06 182.47 o
-4 5 2 1769.50 1655.68 115.85 o
-3 5 2 3363.99 3430.99 142.65 o
-2 5 2 3404.98 3562.89 117.36 o
-1 5 2 1769.50 1750.37 79.50 o
0 5 2 2452.73 2625.12 207.06 o
-5 6 2 1831.85 2416.13 452.65 o
-4 6 2 2107.71 1975.00 118.77 o
-3 6 2 1319.22 1418.31 107.81 o
-2 6 2 2114.40 2253.34 159.48 o
-1 6 2 1819.19 1614.33 206.43 o
0 0 3 2468.32 2479.05 90.90 o
-1 1 3 21774.57 22105.86 245.57 o
0 1 3 4387.23 4413.72 71.56 o
-2 2 3 3371.03 3387.48 76.79 o
-1 2 3 1756.47 1849.47 36.03 o
0 2 3 16400.15 16647.94 187.90 o
-3 3 3 1065.84 1113.63 70.13 o
-2 3 3 12940.22 12851.95 130.24 o
-1 3 3 2667.11 2674.36 65.64 o
0 3 3 1065.84 1232.63 72.01 o
-4 4 3 7290.02 6716.91 215.25 o
-3 4 3 1767.62 1737.31 74.34 o
-2 4 3 869.67 878.19 48.35 o
-1 4 3 8688.28 8842.05 126.84 o
0 4 3 1474.68 1376.05 87.30 o
-5 5 3 914.87 816.95 106.52 o
-4 5 3 512.76 426.91 48.58 o
-3 5 3 6181.48 5974.12 152.21 o
-2 5 3 1246.05 1169.70 73.10 o
-1 5 3 512.76 440.02 49.33 o
0 5 3 4546.96 4928.66 320.91 o
-4 6 3 791.74 774.46 108.06 o
-3 6 3 375.36 316.71 59.46 o
-2 6 3 3933.36 3729.81 188.57 o
0 0 4 24415.74 23595.16 412.22 o
-1 1 4 226.07 270.96 26.59 o
0 1 4 184.68 248.31 24.18 o
-2 2 4 159.46 176.25 28.61 o
-1 2 4 18766.40 18537.81 149.00 o
0 2 4 197.64 212.50 25.64 o
-3 3 4 12239.15 11963.14 214.58 o
-2 3 4 171.09 169.24 22.56 o
-1 3 4 136.23 162.58 21.64 o
0 3 4 12239.15 12636.09 206.87 o
-4 4 4 114.92 130.55 47.46 o
-3 4 4 101.41 108.95 27.34 o
-2 4 4 10178.17 10352.01 150.65 o
-1 4 4 130.16 159.38 35.92 o
0 4 4 88.86 75.21 39.57 o
-5 5 4 62.08 89.15 119.84 o
-4 5 4 6246.48 5760.55 257.09 o
-3 5 4 102.09 94.64 34.25 o
-2 5 4 78.49 85.81 32.52 o
-1 5 4 6246.48 6668.28 151.28 o
0 5 4 81.35 56.15 68.34 o
-4 6 4 55.39 57.99 119.37 o
-2 6 4 72.75 -21.15 56.38 o
0 0 5 1184.30 1131.54 91.30 o
-1 1 5 2773.36 2791.09 81.93 o
0 1 5 14960.92 14498.64 189.17 o
-2 2 5 11980.82 12046.28 193.07 o
-1 2 5 934.00 1025.70 55.12 o
0 2 5 2217.07 2498.52 100.87 o
-3 3 5 630.93 645.85 64.19 o
-2 3 5 1805.69 1814.66 69.33 o
-1 3 5 9814.64 9814.05 135.74 o
0 3 5 630.93 580.27 68.16 o
-4 4 5 1067.17 1257.41 123.31 o
-3 4 5 6887.50 7182.90 148.16 o
-2 4 5 530.19 565.45 47.24 o
-1 4 5 1256.18 1348.37 75.26 o
0 4 5 5859.11 5975.15 218.57 o
-4 5 5 329.78 326.59 57.42 o
-3 5 5 914.66 778.53 65.94 o
-2 5 5 5021.11 5200.38 199.02 o
-1 5 5 329.78 397.10 58.16 o
0 5 5 684.75 836.65 265.91 o
0 0 6 3298.08 3352.08 149.30 o
-1 1 6 6141.84 5914.67 127.89 o
0 1 6 5290.73 5071.57 124.04 o
-2 2 6 4352.64 4223.89 121.33 o
-1 2 6 2724.97 2759.93 73.65 o
0 2 6 5017.38 4953.61 128.58 o
-3 3 6 1942.15 1963.98 110.93 o
-2 3 6 4166.39 4346.82 110.56 o
-1 3 6 3637.15 3820.77 119.35 o
0 3 6 1942.15 2003.64 146.38 o
-4 4 6 2540.50 2835.47 173.32 o
-3 4 6 2620.65 2523.08 97.31 o
-2 4 6 1666.17 1679.34 81.40 o
-1 4 6 2971.58 3091.83 125.73 o
0 4 6 2249.55 2421.80 225.01 o
-4 5 6 1092.71 1253.15 331.99 o
-3 5 6 2185.52 2228.13 143.89 o
-2 5 6 1941.94 2040.69 166.22 o
-1 5 6 1092.71 1140.89 291.00 o
0 0 7 842.32 909.14 121.66 o
-1 1 7 8785.03 8640.12 175.82 o
0 1 7 1675.85 1585.54 87.63 o
-2 2 7 1410.73 1324.99 96.25 o
-1 2 7 712.11 736.32 48.46 o
0 2 7 7356.00 7340.70 219.08 o
-3 3 7 522.02 524.71 75.40 o
-2 3 7 6226.68 6337.52 160.12 o
-1 3 7 1201.47 1194.75 84.86 o
0 3 7 522.02 529.38 84.64 o
-4 4 7 3947.29 3744.53 277.04 o
-3 4 7 893.54 802.20 62.88 o
-2 4 7 450.81 398.60 55.31 o
-1 4 7 4567.89 4758.79 250.13 o
0 4 7 777.26 914.36 161.23 o
0 0 8 9251.09 9995.21 602.39 o
-1 1 8 157.78 211.78 48.62 o
0 1 8 68.97 65.79 38.66 o
-2 2 8 61.36 11.22 33.50 o
-1 2 8 7819.06 7880.21 139.99 o
0 2 8 135.61 132.96 51.75 o
-3 3 8 5721.41 5550.35 220.68 o
-2 3 8 117.65 131.33 34.90 o
-1 3 8 54.86 29.59 33.09 o
0 3 8 5721.41 5710.11 277.83 o
-3 4 8 44.16 12.65 59.62 o
-2 4 8 4938.98 5402.08 339.95 o
0 0 9 385.53 215.93 168.90 o
-1 1 9 872.31 748.76 91.55 o
0 1 9 5374.82 5459.54 194.57 o
-2 2 9 4634.93 4481.38 214.54 o
-1 2 9 330.74 355.01 54.94 o
0 2 9 756.71 718.56 102.48 o
-2 3 9 659.59 478.82 144.54 o
-1 3 9 4016.97 4589.96 457.88 o
0 0 10 1198.32 1188.55 202.70 o
-1 1 10 2158.27 1735.79 202.86 o
0 1 10 1875.45 1768.36 248.77 o
-1 2 10 1043.24 1024.64 176.63 o