# generated using pymatgen data_Lu2(Ni5B3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.76507649 _cell_length_b 9.76507649 _cell_length_c 11.17769900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.87095301 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2(Ni5B3)3 _chemical_formula_sum 'Lu8 Ni60 B36' _cell_volume 1014.44064404 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.25970300 0.25970300 0.95762700 1.0 Lu Lu1 1 0.74029700 0.74029700 0.04237300 1.0 Lu Lu2 1 0.24029700 0.24029700 0.45762700 1.0 Lu Lu3 1 0.75970300 0.75970300 0.54237300 1.0 Lu Lu4 1 0.18971500 0.68971500 0.75000000 1.0 Lu Lu5 1 0.31028500 0.81028500 0.25000000 1.0 Lu Lu6 1 0.81028500 0.31028500 0.25000000 1.0 Lu Lu7 1 0.68971500 0.18971500 0.75000000 1.0 Ni Ni8 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni11 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni12 1 0.23373500 0.23373500 0.71270500 1.0 Ni Ni13 1 0.76626500 0.76626500 0.28729500 1.0 Ni Ni14 1 0.26626500 0.26626500 0.21270500 1.0 Ni Ni15 1 0.73373500 0.73373500 0.78729500 1.0 Ni Ni16 1 0.92952600 0.42952600 0.75000000 1.0 Ni Ni17 1 0.57047400 0.07047400 0.25000000 1.0 Ni Ni18 1 0.07047400 0.57047400 0.25000000 1.0 Ni Ni19 1 0.42952600 0.92952600 0.75000000 1.0 Ni Ni20 1 0.98929800 0.18351700 0.84003700 1.0 Ni Ni21 1 0.81648300 0.01070200 0.15996300 1.0 Ni Ni22 1 0.31648300 0.51070200 0.34003700 1.0 Ni Ni23 1 0.48929800 0.68351700 0.65996300 1.0 Ni Ni24 1 0.01070200 0.81648300 0.15996300 1.0 Ni Ni25 1 0.18351700 0.98929800 0.84003700 1.0 Ni Ni26 1 0.68351700 0.48929800 0.65996300 1.0 Ni Ni27 1 0.51070200 0.31648300 0.34003700 1.0 Ni Ni28 1 0.25600500 0.46908900 0.59611300 1.0 Ni Ni29 1 0.53091100 0.74399500 0.40388700 1.0 Ni Ni30 1 0.03091100 0.24399500 0.09611300 1.0 Ni Ni31 1 0.75600500 0.96908900 0.90388700 1.0 Ni Ni32 1 0.74399500 0.53091100 0.40388700 1.0 Ni Ni33 1 0.46908900 0.25600500 0.59611300 1.0 Ni Ni34 1 0.96908900 0.75600500 0.90388700 1.0 Ni Ni35 1 0.24399500 0.03091100 0.09611300 1.0 Ni Ni36 1 0.99657100 0.22769700 0.61764800 1.0 Ni Ni37 1 0.77230300 0.00342900 0.38235200 1.0 Ni Ni38 1 0.27230300 0.50342900 0.11764800 1.0 Ni Ni39 1 0.49657100 0.72769700 0.88235200 1.0 Ni Ni40 1 0.00342900 0.77230300 0.38235200 1.0 Ni Ni41 1 0.22769700 0.99657100 0.61764800 1.0 Ni Ni42 1 0.72769700 0.49657100 0.88235200 1.0 Ni Ni43 1 0.50342900 0.27230300 0.11764800 1.0 Ni Ni44 1 0.10705700 0.44579400 0.91603100 1.0 Ni Ni45 1 0.55420600 0.89294300 0.08396900 1.0 Ni Ni46 1 0.05420600 0.39294300 0.41603100 1.0 Ni Ni47 1 0.60705700 0.94579400 0.58396900 1.0 Ni Ni48 1 0.89294300 0.55420600 0.08396900 1.0 Ni Ni49 1 0.44579400 0.10705700 0.91603100 1.0 Ni Ni50 1 0.94579400 0.60705700 0.58396900 1.0 Ni Ni51 1 0.39294300 0.05420600 0.41603100 1.0 Ni Ni52 1 0.33048200 0.48924700 0.80675500 1.0 Ni Ni53 1 0.51075300 0.66951800 0.19324500 1.0 Ni Ni54 1 0.01075300 0.16951800 0.30675500 1.0 Ni Ni55 1 0.83048200 0.98924700 0.69324500 1.0 Ni Ni56 1 0.66951800 0.51075300 0.19324500 1.0 Ni Ni57 1 0.48924700 0.33048200 0.80675500 1.0 Ni Ni58 1 0.98924700 0.83048200 0.69324500 1.0 Ni Ni59 1 0.16951800 0.01075300 0.30675500 1.0 Ni Ni60 1 0.83725200 0.36253100 0.53079500 1.0 Ni Ni61 1 0.63746900 0.16274800 0.46920500 1.0 Ni Ni62 1 0.13746900 0.66274800 0.03079500 1.0 Ni Ni63 1 0.33725200 0.86253100 0.96920500 1.0 Ni Ni64 1 0.16274800 0.63746900 0.46920500 1.0 Ni Ni65 1 0.36253100 0.83725200 0.53079500 1.0 Ni Ni66 1 0.86253100 0.33725200 0.96920500 1.0 Ni Ni67 1 0.66274800 0.13746900 0.03079500 1.0 B B68 1 0.36471000 0.63529000 0.50000000 1.0 B B69 1 0.86471000 0.13529000 0.00000000 1.0 B B70 1 0.63529000 0.36471000 0.50000000 1.0 B B71 1 0.13529000 0.86471000 0.00000000 1.0 B B72 1 0.45114100 0.45114100 0.67181000 1.0 B B73 1 0.54885900 0.54885900 0.32819000 1.0 B B74 1 0.04885900 0.04885900 0.17181000 1.0 B B75 1 0.95114100 0.95114100 0.82819000 1.0 B B76 1 0.05653900 0.05653900 0.69942300 1.0 B B77 1 0.94346100 0.94346100 0.30057700 1.0 B B78 1 0.44346100 0.44346100 0.19942300 1.0 B B79 1 0.55653900 0.55653900 0.80057700 1.0 B B80 1 0.12024600 0.37894600 0.74498700 1.0 B B81 1 0.62105400 0.87975400 0.25501300 1.0 B B82 1 0.12105400 0.37975400 0.24498700 1.0 B B83 1 0.62024600 0.87894600 0.75501300 1.0 B B84 1 0.87975400 0.62105400 0.25501300 1.0 B B85 1 0.37894600 0.12024600 0.74498700 1.0 B B86 1 0.87894600 0.62024600 0.75501300 1.0 B B87 1 0.37975400 0.12105400 0.24498700 1.0 B B88 1 0.29757700 0.59425900 0.94865100 1.0 B B89 1 0.40574100 0.70242300 0.05134900 1.0 B B90 1 0.90574100 0.20242300 0.44865100 1.0 B B91 1 0.79757700 0.09425900 0.55134900 1.0 B B92 1 0.70242300 0.40574100 0.05134900 1.0 B B93 1 0.59425900 0.29757700 0.94865100 1.0 B B94 1 0.09425900 0.79757700 0.55134900 1.0 B B95 1 0.20242300 0.90574100 0.44865100 1.0 B B96 1 0.04906400 0.45109400 0.60036200 1.0 B B97 1 0.54890600 0.95093600 0.39963800 1.0 B B98 1 0.04890600 0.45093600 0.10036200 1.0 B B99 1 0.54906400 0.95109400 0.89963800 1.0 B B100 1 0.95093600 0.54890600 0.39963800 1.0 B B101 1 0.45109400 0.04906400 0.60036200 1.0 B B102 1 0.95109400 0.54906400 0.89963800 1.0 B B103 1 0.45093600 0.04890600 0.10036200 1.0