# generated using pymatgen data_Tm2(Ni5B3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81508255 _cell_length_b 9.81508255 _cell_length_c 11.22712000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.93186700 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2(Ni5B3)3 _chemical_formula_sum 'Tm8 Ni60 B36' _cell_volume 1029.03480852 _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 Tm Tm0 1 0.25960000 0.25960000 0.95778600 1.0 Tm Tm1 1 0.74040000 0.74040000 0.04221400 1.0 Tm Tm2 1 0.24040000 0.24040000 0.45778600 1.0 Tm Tm3 1 0.75960000 0.75960000 0.54221400 1.0 Tm Tm4 1 0.19035000 0.69035000 0.75000000 1.0 Tm Tm5 1 0.30965000 0.80965000 0.25000000 1.0 Tm Tm6 1 0.80965000 0.30965000 0.25000000 1.0 Tm Tm7 1 0.69035000 0.19035000 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 0.23375200 0.23375200 0.71232800 1.0 Ni Ni13 1 0.76624800 0.76624800 0.28767200 1.0 Ni Ni14 1 0.26624800 0.26624800 0.21232800 1.0 Ni Ni15 1 0.73375200 0.73375200 0.78767200 1.0 Ni Ni16 1 0.92992400 0.42992400 0.75000000 1.0 Ni Ni17 1 0.57007600 0.07007600 0.25000000 1.0 Ni Ni18 1 0.07007600 0.57007600 0.25000000 1.0 Ni Ni19 1 0.42992400 0.92992400 0.75000000 1.0 Ni Ni20 1 0.98903200 0.18202500 0.83985300 1.0 Ni Ni21 1 0.81797500 0.01096800 0.16014700 1.0 Ni Ni22 1 0.31797500 0.51096800 0.33985300 1.0 Ni Ni23 1 0.48903200 0.68202500 0.66014700 1.0 Ni Ni24 1 0.01096800 0.81797500 0.16014700 1.0 Ni Ni25 1 0.18202500 0.98903200 0.83985300 1.0 Ni Ni26 1 0.68202500 0.48903200 0.66014700 1.0 Ni Ni27 1 0.51096800 0.31797500 0.33985300 1.0 Ni Ni28 1 0.25685600 0.47056900 0.59678200 1.0 Ni Ni29 1 0.52943100 0.74314400 0.40321800 1.0 Ni Ni30 1 0.02943100 0.24314400 0.09678200 1.0 Ni Ni31 1 0.75685600 0.97056900 0.90321800 1.0 Ni Ni32 1 0.74314400 0.52943100 0.40321800 1.0 Ni Ni33 1 0.47056900 0.25685600 0.59678200 1.0 Ni Ni34 1 0.97056900 0.75685600 0.90321800 1.0 Ni Ni35 1 0.24314400 0.02943100 0.09678200 1.0 Ni Ni36 1 0.99569900 0.22730300 0.61760400 1.0 Ni Ni37 1 0.77269700 0.00430100 0.38239600 1.0 Ni Ni38 1 0.27269700 0.50430100 0.11760400 1.0 Ni Ni39 1 0.49569900 0.72730300 0.88239600 1.0 Ni Ni40 1 0.00430100 0.77269700 0.38239600 1.0 Ni Ni41 1 0.22730300 0.99569900 0.61760400 1.0 Ni Ni42 1 0.72730300 0.49569900 0.88239600 1.0 Ni Ni43 1 0.50430100 0.27269700 0.11760400 1.0 Ni Ni44 1 0.10676900 0.44613900 0.91553400 1.0 Ni Ni45 1 0.55386100 0.89323100 0.08446600 1.0 Ni Ni46 1 0.05386100 0.39323100 0.41553400 1.0 Ni Ni47 1 0.60676900 0.94613900 0.58446600 1.0 Ni Ni48 1 0.89323100 0.55386100 0.08446600 1.0 Ni Ni49 1 0.44613900 0.10676900 0.91553400 1.0 Ni Ni50 1 0.94613900 0.60676900 0.58446600 1.0 Ni Ni51 1 0.39323100 0.05386100 0.41553400 1.0 Ni Ni52 1 0.33081500 0.48961400 0.80613200 1.0 Ni Ni53 1 0.51038600 0.66918500 0.19386800 1.0 Ni Ni54 1 0.01038600 0.16918500 0.30613200 1.0 Ni Ni55 1 0.83081500 0.98961400 0.69386800 1.0 Ni Ni56 1 0.66918500 0.51038600 0.19386800 1.0 Ni Ni57 1 0.48961400 0.33081500 0.80613200 1.0 Ni Ni58 1 0.98961400 0.83081500 0.69386800 1.0 Ni Ni59 1 0.16918500 0.01038600 0.30613200 1.0 Ni Ni60 1 0.83760000 0.36285200 0.53030400 1.0 Ni Ni61 1 0.63714800 0.16240000 0.46969600 1.0 Ni Ni62 1 0.13714800 0.66240000 0.03030400 1.0 Ni Ni63 1 0.33760000 0.86285200 0.96969600 1.0 Ni Ni64 1 0.16240000 0.63714800 0.46969600 1.0 Ni Ni65 1 0.36285200 0.83760000 0.53030400 1.0 Ni Ni66 1 0.86285200 0.33760000 0.96969600 1.0 Ni Ni67 1 0.66240000 0.13714800 0.03030400 1.0 B B68 1 0.36513000 0.63487000 0.50000000 1.0 B B69 1 0.86513000 0.13487000 0.00000000 1.0 B B70 1 0.63487000 0.36513000 0.50000000 1.0 B B71 1 0.13487000 0.86513000 0.00000000 1.0 B B72 1 0.45168100 0.45168100 0.67182000 1.0 B B73 1 0.54831900 0.54831900 0.32818000 1.0 B B74 1 0.04831900 0.04831900 0.17182000 1.0 B B75 1 0.95168100 0.95168100 0.82818000 1.0 B B76 1 0.05647100 0.05647100 0.69956200 1.0 B B77 1 0.94352900 0.94352900 0.30043800 1.0 B B78 1 0.44352900 0.44352900 0.19956200 1.0 B B79 1 0.55647100 0.55647100 0.80043800 1.0 B B80 1 0.12025500 0.37829700 0.74489400 1.0 B B81 1 0.62170300 0.87974500 0.25510600 1.0 B B82 1 0.12170300 0.37974500 0.24489400 1.0 B B83 1 0.62025500 0.87829700 0.75510600 1.0 B B84 1 0.87974500 0.62170300 0.25510600 1.0 B B85 1 0.37829700 0.12025500 0.74489400 1.0 B B86 1 0.87829700 0.62025500 0.75510600 1.0 B B87 1 0.37974500 0.12170300 0.24489400 1.0 B B88 1 0.29762700 0.59364100 0.94878300 1.0 B B89 1 0.40635900 0.70237300 0.05121700 1.0 B B90 1 0.90635900 0.20237300 0.44878300 1.0 B B91 1 0.79762700 0.09364100 0.55121700 1.0 B B92 1 0.70237300 0.40635900 0.05121700 1.0 B B93 1 0.59364100 0.29762700 0.94878300 1.0 B B94 1 0.09364100 0.79762700 0.55121700 1.0 B B95 1 0.20237300 0.90635900 0.44878300 1.0 B B96 1 0.04885500 0.45068600 0.60020000 1.0 B B97 1 0.54931400 0.95114500 0.39980000 1.0 B B98 1 0.04931400 0.45114500 0.10020000 1.0 B B99 1 0.54885500 0.95068600 0.89980000 1.0 B B100 1 0.95114500 0.54931400 0.39980000 1.0 B B101 1 0.45068600 0.04885500 0.60020000 1.0 B B102 1 0.95068600 0.54885500 0.89980000 1.0 B B103 1 0.45114500 0.04931400 0.10020000 1.0