data_2239772
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.9440
_cell_length_b                   4.9440
_cell_length_c                   24.1290
_exptl_crystal_F_000             1294.04
_reflns_d_resolution_high        0.6569
_[local]_cod_data_source_file    fj2679Isup2.hkl
_[local]_cod_data_source_block   I
_shelx_title                     '    Tb2Ni7 in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            678.34
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, x, z+1/2'
'y, -x+y, z+1/2'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'-y, -x, -z+1/2'
'x, x-y, -z+1/2'
'-x+y, y, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, -x, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, y, z'
'x, x-y, z'
'-y, -x, z'
'y, x, z-1/2'
'-x, -x+y, z-1/2'
'x-y, -y, z-1/2'
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 3043.02 2652.04 121.07 o
-1 2 0 243662.03 247542.94 1104.40 o
0 2 0 88868.25 88709.45 541.80 o
-1 3 0 2138.05 2249.31 95.51 o
0 3 0 142821.03 139832.22 880.26 o
-2 4 0 460139.00 462548.72 2364.02 o
-1 4 0 1757.65 1615.99 204.99 o
0 4 0 35587.73 37076.12 689.17 o
-2 5 0 1783.96 2183.67 202.31 o
-1 5 0 65025.23 65332.09 869.92 o
0 5 0 1307.88 943.41 344.81 o
-3 6 0 46048.84 47415.60 1480.66 o
-2 6 0 18971.45 19815.60 791.61 o
-1 6 0 899.23 1137.90 286.06 o
0 6 0 122407.52 123337.15 2827.53 o
-3 7 0 800.80 1418.40 418.05 o
-2 7 0 28968.68 28250.06 1364.87 o
0 1 1 2675.95 2497.82 94.37 o
0 2 1 113994.38 112102.99 454.04 o
-1 3 1 2210.24 2431.86 68.63 o
0 3 1 0.73 216.44 86.98 o
-1 4 1 1679.51 1509.40 108.93 o
0 4 1 45534.57 46056.89 499.82 o
-2 5 1 1701.98 1685.30 135.75 o
-1 5 1 0.32 50.05 117.87 o
0 5 1 1612.72 1837.70 264.57 o
-2 6 1 24377.47 24679.50 613.85 o
-1 6 1 1021.40 883.05 194.83 o
0 6 1 0.00 -329.60 381.14 o
-3 7 1 1035.04 1284.76 277.35 o
-2 7 1 0.54 317.68 219.77 o
0 0 2 316.07 244.88 115.29 o
0 1 2 234.75 232.20 58.47 o
-1 2 2 588.81 660.28 56.35 o
0 2 2 74.46 135.22 51.55 o
-1 3 2 91.28 0.73 43.72 o
0 3 2 302.47 270.94 90.84 o
-2 4 2 133.96 198.26 133.45 o
-1 4 2 78.09 93.72 85.15 o
0 4 2 31.43 27.86 106.71 o
-2 5 2 55.96 133.47 106.88 o
-1 5 2 132.06 308.34 121.67 o
0 5 2 11.15 4.53 212.17 o
-3 6 2 97.04 180.38 237.46 o
-2 6 2 13.68 142.63 163.41 o
-1 6 2 14.50 210.11 200.38 o
0 6 2 27.26 374.46 404.41 o
-3 7 2 3.29 333.81 253.14 o
-2 7 2 20.16 164.85 211.70 o
0 1 3 936.78 948.00 77.47 o
0 2 3 28199.76 28051.14 229.06 o
-1 3 3 606.96 599.93 54.78 o
0 3 3 7.93 -88.81 88.81 o
-1 4 3 342.25 162.10 86.21 o
0 4 3 10705.75 10325.09 358.88 o
-2 5 3 220.31 316.65 119.08 o
-1 5 3 3.53 142.36 124.70 o
0 5 3 228.99 -113.04 213.58 o
-2 6 3 5462.07 5347.30 254.10 o
-1 6 3 133.67 446.85 207.02 o
0 6 3 0.01 96.71 395.84 o
-3 7 3 113.85 -95.04 222.18 o
-2 7 3 5.85 -50.84 239.46 o
0 0 4 752.52 847.64 149.13 o
0 1 4 360.84 370.70 55.19 o
-1 2 4 1626.48 1650.45 84.11 o
0 2 4 81.39 172.57 56.73 o
-1 3 4 256.86 187.73 48.03 o
0 3 4 1025.74 1054.60 123.15 o
-2 4 4 272.99 101.75 111.98 o
-1 4 4 134.29 -78.64 78.64 o
0 4 4 32.90 -6.65 134.11 o
-2 5 4 84.00 50.52 115.61 o
-1 5 4 482.96 643.59 140.47 o
0 5 4 108.42 -47.66 218.73 o
-3 6 4 328.41 510.64 252.53 o
-2 6 4 14.39 -20.44 149.00 o
-1 6 4 57.73 -197.57 197.57 o
0 6 4 53.15 328.08 405.71 o
-3 7 4 54.81 -194.58 232.93 o
-2 7 4 204.00 21.92 286.69 o
0 1 5 18.86 29.88 45.40 o
0 2 5 63108.39 62714.90 339.41 o
-1 3 5 32.80 26.84 47.09 o
0 3 5 0.60 -89.35 89.35 o
-1 4 5 81.81 234.78 85.54 o
0 4 5 21801.37 21678.88 508.59 o
-2 5 5 48.10 71.00 121.64 o
-1 5 5 0.27 139.89 130.34 o
0 5 5 33.06 -214.30 214.30 o
-2 6 5 10169.79 10033.72 356.31 o
-1 6 5 117.82 -110.36 181.15 o
0 6 5 0.00 354.82 350.40 o
-3 7 5 64.24 -202.81 202.81 o
-2 7 5 0.46 -86.50 298.44 o
0 0 6 17423.99 17309.86 590.98 o
0 1 6 17174.72 17061.48 154.93 o
-1 2 6 368780.06 377077.56 1131.19 o
0 2 6 13927.92 13466.62 175.55 o
-1 3 6 10625.84 10591.05 150.72 o
0 3 6 211483.06 210827.41 1017.45 o
-2 4 6 7458.50 7197.50 253.84 o
-1 4 6 7304.54 6935.38 182.73 o
0 4 6 4091.38 4291.64 246.97 o
-2 5 6 4879.39 4658.76 219.36 o
-1 5 6 98331.87 98241.91 827.16 o
0 5 6 3994.10 3453.11 355.22 o
-3 6 6 73925.23 72292.38 1127.28 o
-2 6 6 1700.39 1815.88 226.03 o
-1 6 6 3402.00 3350.99 276.89 o
0 6 6 2468.53 2068.38 640.98 o
-3 7 6 2540.03 2074.45 268.67 o
-2 7 6 40244.26 40891.41 1277.44 o
0 1 7 134273.00 133390.50 456.51 o
0 2 7 1018.99 1186.26 80.71 o
-1 3 7 78198.84 76082.06 354.68 o
0 3 7 0.73 -86.75 97.25 o
-1 4 7 53631.16 53385.29 402.00 o
0 4 7 1287.11 1395.31 181.10 o
-2 5 7 37542.41 37110.00 473.29 o
-1 5 7 0.34 -47.53 143.45 o
0 5 7 27395.73 27920.58 853.55 o
-2 6 7 1088.91 1174.31 214.14 o
-1 6 7 22397.85 21625.72 534.93 o
0 6 7 0.00 12.32 313.10 o
-3 7 7 16632.68 17383.47 571.13 o
-2 7 7 0.59 277.41 504.21 o
0 0 8 27293.71 28290.05 514.75 o
0 1 8 8513.19 8377.67 132.62 o
-1 2 8 30280.77 29945.39 222.88 o
0 2 8 4120.53 4140.22 113.90 o
-1 3 8 4794.67 4841.20 116.79 o
0 3 8 18394.95 19204.46 336.01 o
-2 4 8 10524.04 10252.46 306.80 o
-1 4 8 3375.44 3146.75 135.79 o
0 4 8 1924.10 1729.90 195.89 o
-2 5 8 2454.86 2815.03 184.09 o
-1 5 8 9246.26 9079.50 319.61 o
0 5 8 1631.16 1212.96 340.57 o
-3 6 8 7102.61 7590.13 497.34 o
-2 6 8 1115.27 1048.83 208.11 o
-1 6 8 1360.55 1157.16 253.54 o
0 6 8 3506.58 3537.42 458.87 o
-3 7 8 998.21 1212.35 286.12 o
-2 7 8 4090.72 4028.80 674.31 o
0 1 9 19833.70 20260.75 188.63 o
0 2 9 14.86 -0.09 51.84 o
-1 3 9 11017.95 11343.47 165.35 o
0 3 9 6.63 45.11 104.14 o
-1 4 9 7331.21 7495.48 190.08 o
0 4 9 4.53 -77.29 147.02 o
-2 5 9 5140.13 5191.17 236.91 o
-1 5 9 3.12 22.34 154.53 o
0 5 9 3386.33 3962.12 405.62 o
-2 6 9 5.59 358.09 182.48 o
-1 6 9 2599.37 2141.50 250.70 o
0 6 9 0.01 207.79 331.84 o
-3 7 9 1868.43 1752.13 381.69 o
-2 7 9 5.40 373.71 641.17 o
0 0 10 5196.10 5881.31 310.44 o
0 1 10 3411.61 3617.75 102.97 o
-1 2 10 9180.24 9524.79 155.70 o
0 2 10 1198.39 914.28 75.64 o
-1 3 10 2116.90 2482.09 95.91 o
0 3 10 5679.93 6117.26 235.86 o
-2 4 10 1854.18 1790.51 167.61 o
-1 4 10 1288.80 1187.12 104.88 o
0 4 10 494.36 142.46 176.24 o
-2 5 10 862.59 908.34 155.55 o
-1 5 10 2688.33 2717.13 217.80 o
0 5 10 763.10 734.72 278.91 o
-3 6 10 1944.94 1706.21 315.56 o
-2 6 10 253.14 444.46 187.98 o
-1 6 10 523.04 291.00 201.92 o
0 6 10 479.28 70.04 491.56 o
-3 7 10 438.27 419.40 372.83 o
-2 7 10 1193.34 50.83 913.17 o
0 1 11 29741.00 29486.68 224.60 o
0 2 11 3099.40 3323.54 117.36 o
-1 3 11 16721.71 16757.46 206.84 o
0 3 11 0.41 -110.98 110.98 o
-1 4 11 10880.12 11454.96 258.68 o
0 4 11 1371.42 1414.51 211.77 o
-2 5 11 6929.94 6375.04 262.54 o
-1 5 11 0.20 329.17 155.57 o
0 5 11 4629.74 4887.99 448.93 o
-2 6 11 835.19 587.06 202.59 o
-1 6 11 3807.57 3405.04 274.85 o
0 6 11 0.00 -119.32 453.79 o
-3 7 11 2573.39 1813.87 481.30 o
0 0 12 392545.53 390617.28 2504.96 o
0 1 12 10271.88 10401.44 165.33 o
-1 2 12 16199.92 16267.75 215.22 o
0 2 12 12071.37 12223.38 208.88 o
-1 3 12 5851.08 6165.80 147.32 o
0 3 12 10770.60 11055.16 367.28 o
-2 4 12 145294.78 143711.33 1235.18 o
-1 4 12 3519.39 3617.69 155.14 o
0 4 12 5600.04 5939.73 383.38 o
-2 5 12 1981.24 2155.94 180.30 o
-1 5 12 5039.22 4990.96 264.43 o
0 5 12 1494.88 1659.07 351.23 o
-3 6 12 3378.56 2677.53 450.12 o
-2 6 12 3243.65 3502.22 319.63 o
-1 6 12 1230.19 1230.89 241.05 o
0 6 12 43184.95 38890.06 3708.63 o
-3 7 12 840.05 1180.22 670.13 o
0 1 13 17096.93 16960.17 215.08 o
0 2 13 140521.02 139453.44 692.22 o
-1 3 13 12241.90 12279.53 208.61 o
0 3 13 0.63 -117.81 117.81 o
-1 4 13 8970.30 8810.02 226.34 o
0 4 13 66196.32 64499.16 822.53 o
-2 5 13 7497.17 7243.58 272.82 o
-1 5 13 0.31 162.21 165.49 o
0 5 13 6224.73 6560.03 453.75 o
-2 6 13 37476.06 37891.80 733.58 o
-1 6 13 4287.10 3584.15 303.79 o
0 6 13 0.00 -191.19 779.08 o
0 0 14 152671.31 150231.09 1451.26 o
0 1 14 23806.91 23192.71 240.02 o
-1 2 14 88071.77 86504.70 568.47 o
0 2 14 25878.96 25514.51 326.99 o
-1 3 14 15774.29 16067.45 248.70 o
0 3 14 59398.48 61230.39 713.41 o
-2 4 14 65742.24 66152.23 694.27 o
-1 4 14 10877.24 11280.72 261.76 o
0 4 14 12473.49 12458.55 473.29 o
-2 5 14 7999.14 8547.45 295.88 o
-1 5 14 31360.14 32250.25 572.71 o
0 5 14 6408.09 5686.46 445.60 o
-3 6 14 23557.36 24605.65 856.54 o
-2 6 14 7048.72 7215.31 406.22 o
-1 6 14 4741.61 4516.54 368.63 o
0 6 14 21132.68 24288.97 3124.22 o
0 1 15 2874.94 3063.20 135.17 o
0 2 15 2444.91 2646.23 160.74 o
-1 3 15 1865.00 1864.50 115.89 o
0 3 15 4.83 -128.92 128.92 o
-1 4 15 1467.41 1520.70 143.93 o
0 4 15 937.43 415.61 231.65 o
-2 5 15 1179.41 843.40 178.96 o
-1 5 15 2.49 -43.15 167.83 o
0 5 15 811.26 486.52 290.02 o
-2 6 15 463.27 -178.84 249.91 o
-1 6 15 716.34 455.68 287.39 o
0 0 16 35325.14 35176.02 852.50 o
0 1 16 5776.00 5717.32 180.46 o
-1 2 16 15593.85 15573.82 338.63 o
0 2 16 7649.76 8034.65 267.22 o
-1 3 16 3565.45 3833.39 146.26 o
0 3 16 10290.94 11158.76 386.94 o
-2 4 16 15432.17 16001.14 466.10 o
-1 4 16 2568.95 2694.54 177.50 o
0 4 16 3638.42 3674.72 353.39 o
-2 5 16 1897.13 1828.82 201.38 o
-1 5 16 5233.17 5042.10 354.56 o
0 5 16 1225.51 1100.25 314.95 o
-3 6 16 3892.97 3827.80 450.20 o
-2 6 16 2006.13 2175.63 336.48 o
-1 6 16 971.54 483.17 338.41 o
0 1 17 822.38 721.52 109.95 o
0 2 17 15190.96 15907.04 379.73 o
-1 3 17 608.72 619.26 97.28 o
0 3 17 0.24 87.17 136.84 o
-1 4 17 546.65 440.93 135.48 o
0 4 17 6535.68 6944.73 470.33 o
-2 5 17 367.88 559.56 186.57 o
-1 5 17 0.13 -109.00 185.42 o
0 5 17 258.07 334.31 313.51 o
-2 6 17 3486.75 3205.67 361.44 o
-1 6 17 322.44 363.44 388.55 o
0 0 18 23097.95 23325.84 793.79 o
0 1 18 1161.16 1236.64 125.28 o
-1 2 18 35903.85 35654.66 477.80 o
0 2 18 34388.01 32894.30 469.25 o
-1 3 18 623.36 602.42 108.37 o
0 3 18 22786.19 24838.33 661.16 o
-2 4 18 10332.47 9868.04 440.11 o
-1 4 18 392.15 255.43 148.88 o
0 4 18 15906.38 16240.51 683.31 o
-2 5 18 348.88 261.66 186.53 o
-1 5 18 12185.71 12114.68 431.04 o
0 5 18 184.89 669.84 324.57 o
-3 6 18 9953.62 9705.14 695.28 o
-2 6 18 8777.67 7871.80 501.23 o
-1 6 18 81.78 -260.81 654.58 o
0 1 19 10125.37 10528.02 263.75 o
0 2 19 15016.84 15666.10 421.65 o
-1 3 19 7330.09 8038.70 238.62 o
0 3 19 0.48 214.50 184.50 o
-1 4 19 5891.01 5928.89 266.14 o
0 4 19 6299.63 6867.09 495.16 o
-2 5 19 4311.58 4198.18 283.01 o
-1 5 19 0.27 178.65 206.51 o
0 5 19 3245.12 3118.09 412.36 o
-2 6 19 3320.15 3854.14 438.94 o
-1 6 19 3113.45 4363.26 2033.90 o
0 0 20 64405.51 63920.05 1480.89 o
0 1 20 21547.84 21744.17 362.34 o
-1 2 20 82526.19 80543.26 766.09 o
0 2 20 11466.80 11484.33 352.48 o
-1 3 20 14966.25 15459.25 354.21 o
0 3 20 58495.11 57181.76 799.72 o
-2 4 20 33573.79 34150.43 798.28 o
-1 4 20 11238.02 11062.29 436.18 o
0 4 20 6355.30 5915.15 577.92 o
-2 5 20 8497.20 9209.27 399.34 o
-1 5 20 33101.07 33921.45 678.05 o
0 5 20 6242.44 5634.78 504.23 o
-3 6 20 25907.08 25358.63 1149.87 o
-2 6 20 3804.58 4439.52 578.67 o
0 1 21 17840.26 18512.02 392.63 o
0 2 21 38171.25 37298.61 533.19 o
-1 3 21 13235.67 13754.18 327.22 o
0 3 21 3.24 -182.62 182.62 o
-1 4 21 9785.03 9764.78 366.81 o
0 4 21 21035.28 21700.92 782.31 o
-2 5 21 7404.67 7243.07 409.25 o
-1 5 21 1.86 -62.96 220.84 o
0 5 21 6047.64 6711.60 550.75 o
-2 6 21 12807.20 8947.72 3442.24 o
0 0 22 156.03 242.55 278.75 o
0 1 22 1359.58 1350.43 162.46 o
-1 2 22 2802.12 2949.87 231.41 o
0 2 22 170.81 -60.51 151.31 o
-1 3 22 973.54 970.11 150.33 o
0 3 22 1912.82 1688.71 260.62 o
-2 4 22 41.75 124.70 264.69 o
-1 4 22 633.19 545.70 193.90 o
0 4 22 66.90 -16.52 287.10 o
-2 5 22 429.93 447.45 243.87 o
-1 5 22 960.77 695.80 256.56 o
0 5 22 395.82 1102.27 534.70 o
-3 6 22 698.12 990.67 1220.96 o
0 1 23 788.74 630.44 152.53 o
0 2 23 17477.93 17197.56 499.41 o
-1 3 23 657.24 676.06 151.38 o
0 3 23 0.13 -88.67 198.73 o
-1 4 23 476.77 340.27 232.97 o
0 4 23 9603.03 11019.98 660.69 o
-2 5 23 429.90 550.19 263.33 o
-1 5 23 0.08 -103.21 238.48 o
0 0 24 118289.52 114002.96 1851.45 o
0 1 24 4716.76 5318.85 256.75 o
-1 2 24 4280.29 4536.53 299.73 o
0 2 24 3291.13 3457.41 286.63 o
-1 3 24 3322.16 3591.02 221.15 o
0 3 24 3246.65 3054.15 313.29 o
-2 4 24 60232.05 60199.21 1105.85 o
-1 4 24 2363.69 2420.82 260.78 o
0 4 24 1928.86 2140.80 432.45 o
-2 5 24 1563.79 1589.89 297.29 o
-1 5 24 1688.61 1432.98 302.35 o
0 1 25 8279.44 9038.84 344.39 o
0 2 25 8724.23 8475.77 398.18 o
-1 3 25 5560.43 5826.32 276.18 o
0 3 25 0.35 -80.35 233.01 o
-1 4 25 4121.05 3758.54 315.01 o
0 4 25 5314.50 4816.58 533.76 o
-2 5 25 2780.96 2307.32 335.81 o
-1 5 25 0.22 669.58 518.76 o
0 0 26 36938.16 38983.95 1161.91 o
0 1 26 3288.70 3603.32 267.67 o
-1 2 26 14562.44 14970.87 600.58 o
0 2 26 6606.57 7008.13 432.30 o
-1 3 26 2569.68 2388.52 215.09 o
0 3 26 11227.12 12414.52 573.94 o
-2 4 26 20668.97 21017.52 694.89 o
-1 4 26 1916.93 1969.61 268.02 o
0 4 26 3868.79 3712.32 526.23 o
-2 5 26 1519.21 1408.19 379.74 o
-1 5 26 6778.95 2010.58 1426.25 o
0 1 27 32414.92 32247.25 647.78 o
0 2 27 13555.45 13589.03 530.86 o
-1 3 27 24242.84 24410.90 506.22 o
0 3 27 2.10 -135.41 262.93 o
-1 4 27 18862.53 19112.68 576.07 o
0 4 27 7987.49 7214.61 667.54 o
-2 5 27 14885.40 14458.51 1155.40 o
0 0 28 3199.48 4175.39 630.70 o
0 1 28 1501.25 1491.85 237.21 o
-1 2 28 8450.49 8700.75 447.44 o
0 2 28 313.80 319.19 241.12 o
-1 3 28 1230.76 1275.03 208.20 o
0 3 28 6569.60 6490.25 471.13 o
-2 4 28 1939.51 1963.83 416.70 o
-1 4 28 923.52 1171.68 260.02 o
0 4 28 196.05 2288.74 1316.93 o
0 1 29 2001.48 2146.61 282.45 o
0 2 29 990.58 693.43 263.03 o
-1 3 29 1495.37 1190.63 213.53 o
0 3 29 0.07 -94.45 273.25 o
-1 4 29 1194.18 1489.37 320.22 o
0 4 29 606.53 3652.26 1934.72 o
0 0 30 723.75 297.94 558.79 o
0 1 30 911.31 814.49 262.74 o
-1 2 30 44980.79 42734.79 840.50 o
0 2 30 3934.43 4232.42 382.34 o
-1 3 30 759.49 588.53 209.66 o
0 3 30 33469.25 32136.29 1473.43 o
-2 4 30 334.52 74.88 336.53 o
-1 4 30 596.53 -165.64 608.72 o
0 1 31 290.45 15.05 249.01 o
0 2 31 15882.64 16303.20 741.89 o
-1 3 31 257.43 31.11 207.12 o
0 3 31 0.26 204.85 355.08 o
0 0 32 64.89 792.39 1555.26 o
0 1 32 400.32 249.49 275.13 o
-1 2 32 2355.66 2502.18 343.25 o
0 2 32 66.30 104.26 284.35 o
-1 3 32 311.79 667.96 265.14 o
0 3 32 1854.22 1396.89 836.77 o
0 1 33 6321.44 5875.84 453.63 o
0 2 33 12113.45 12325.76 612.20 o
-1 3 33 5063.26 5628.00 958.83 o
0 0 34 25820.96 26669.19 3098.82 o
0 1 34 2747.42 2567.18 389.20 o
-1 2 34 13696.68 13769.54 721.41 o
0 2 34 4327.27 4031.10 553.72 o
0 1 35 4316.07 3422.56 587.98 o
0 0 36 65573.18 60572.64 4501.58 o