# generated using pymatgen data_Tb2(Ni2B)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02213600 _cell_length_b 9.49121300 _cell_length_c 17.59174400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2(Ni2B)5 _chemical_formula_sum 'Tb16 Ni80 B40' _cell_volume 1506.39888539 _cell_formula_units_Z 8 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 Tb Tb0 1 0.12496000 0.85810700 0.27811400 1.0 Tb Tb1 1 0.37504000 0.14189300 0.77811400 1.0 Tb Tb2 1 0.62496000 0.64189300 0.72188600 1.0 Tb Tb3 1 0.87504000 0.35810700 0.22188600 1.0 Tb Tb4 1 0.87504000 0.14189300 0.72188600 1.0 Tb Tb5 1 0.62496000 0.85810700 0.22188600 1.0 Tb Tb6 1 0.37504000 0.35810700 0.27811400 1.0 Tb Tb7 1 0.12496000 0.64189300 0.77811400 1.0 Tb Tb8 1 0.21869200 0.88707100 0.47976400 1.0 Tb Tb9 1 0.28130800 0.11292900 0.97976400 1.0 Tb Tb10 1 0.71869200 0.61292900 0.52023600 1.0 Tb Tb11 1 0.78130800 0.38707100 0.02023600 1.0 Tb Tb12 1 0.78130800 0.11292900 0.52023600 1.0 Tb Tb13 1 0.71869200 0.88707100 0.02023600 1.0 Tb Tb14 1 0.28130800 0.38707100 0.47976400 1.0 Tb Tb15 1 0.21869200 0.61292900 0.97976400 1.0 Ni Ni16 1 0.12157600 0.96127300 0.72706500 1.0 Ni Ni17 1 0.37842400 0.03872700 0.22706500 1.0 Ni Ni18 1 0.62157600 0.53872700 0.27293500 1.0 Ni Ni19 1 0.87842400 0.46127300 0.77293500 1.0 Ni Ni20 1 0.87842400 0.03872700 0.27293500 1.0 Ni Ni21 1 0.62157600 0.96127300 0.77293500 1.0 Ni Ni22 1 0.37842400 0.46127300 0.72706500 1.0 Ni Ni23 1 0.12157600 0.53872700 0.22706500 1.0 Ni Ni24 1 0.12642100 0.17626700 0.23708200 1.0 Ni Ni25 1 0.37357900 0.82373300 0.73708200 1.0 Ni Ni26 1 0.62642100 0.32373300 0.76291800 1.0 Ni Ni27 1 0.87357900 0.67626700 0.26291800 1.0 Ni Ni28 1 0.87357900 0.82373300 0.76291800 1.0 Ni Ni29 1 0.62642100 0.17626700 0.26291800 1.0 Ni Ni30 1 0.37357900 0.67626700 0.23708200 1.0 Ni Ni31 1 0.12642100 0.32373300 0.73708200 1.0 Ni Ni32 1 0.07885500 0.88648500 0.01554800 1.0 Ni Ni33 1 0.42114500 0.11351500 0.51554800 1.0 Ni Ni34 1 0.57885500 0.61351500 0.98445200 1.0 Ni Ni35 1 0.92114500 0.38648500 0.48445200 1.0 Ni Ni36 1 0.92114500 0.11351500 0.98445200 1.0 Ni Ni37 1 0.57885500 0.88648500 0.48445200 1.0 Ni Ni38 1 0.42114500 0.38648500 0.01554800 1.0 Ni Ni39 1 0.07885500 0.61351500 0.51554800 1.0 Ni Ni40 1 0.16170300 0.78121600 0.62776600 1.0 Ni Ni41 1 0.33829700 0.21878400 0.12776600 1.0 Ni Ni42 1 0.66170300 0.71878400 0.37223400 1.0 Ni Ni43 1 0.83829700 0.28121600 0.87223400 1.0 Ni Ni44 1 0.83829700 0.21878400 0.37223400 1.0 Ni Ni45 1 0.66170300 0.78121600 0.87223400 1.0 Ni Ni46 1 0.33829700 0.28121600 0.62776600 1.0 Ni Ni47 1 0.16170300 0.71878400 0.12776600 1.0 Ni Ni48 1 0.17693000 0.99432000 0.13139300 1.0 Ni Ni49 1 0.32307000 0.00568000 0.63139300 1.0 Ni Ni50 1 0.67693000 0.50568000 0.86860700 1.0 Ni Ni51 1 0.82307000 0.49432000 0.36860700 1.0 Ni Ni52 1 0.82307000 0.00568000 0.86860700 1.0 Ni Ni53 1 0.67693000 0.99432000 0.36860700 1.0 Ni Ni54 1 0.32307000 0.49432000 0.13139300 1.0 Ni Ni55 1 0.17693000 0.50568000 0.63139300 1.0 Ni Ni56 1 0.23018900 0.89304400 0.86507800 1.0 Ni Ni57 1 0.26981100 0.10695600 0.36507800 1.0 Ni Ni58 1 0.73018900 0.60695600 0.13492200 1.0 Ni Ni59 1 0.76981100 0.39304400 0.63492200 1.0 Ni Ni60 1 0.76981100 0.10695600 0.13492200 1.0 Ni Ni61 1 0.73018900 0.89304400 0.63492200 1.0 Ni Ni62 1 0.26981100 0.39304400 0.86507800 1.0 Ni Ni63 1 0.23018900 0.60695600 0.36507800 1.0 Ni Ni64 1 0.08920700 0.14703200 0.84992000 1.0 Ni Ni65 1 0.41079300 0.85296800 0.34992000 1.0 Ni Ni66 1 0.58920700 0.35296800 0.15008000 1.0 Ni Ni67 1 0.91079300 0.64703200 0.65008000 1.0 Ni Ni68 1 0.91079300 0.85296800 0.15008000 1.0 Ni Ni69 1 0.58920700 0.14703200 0.65008000 1.0 Ni Ni70 1 0.41079300 0.64703200 0.84992000 1.0 Ni Ni71 1 0.08920700 0.35296800 0.34992000 1.0 Ni Ni72 1 0.04394600 0.02146700 0.59644700 1.0 Ni Ni73 1 0.45605400 0.97853300 0.09644700 1.0 Ni Ni74 1 0.54394600 0.47853300 0.40355300 1.0 Ni Ni75 1 0.95605400 0.52146700 0.90355300 1.0 Ni Ni76 1 0.95605400 0.97853300 0.40355300 1.0 Ni Ni77 1 0.54394600 0.02146700 0.90355300 1.0 Ni Ni78 1 0.45605400 0.52146700 0.59644700 1.0 Ni Ni79 1 0.04394600 0.47853300 0.09644700 1.0 Ni Ni80 1 0.04466500 0.21804300 0.09881500 1.0 Ni Ni81 1 0.45533500 0.78195700 0.59881500 1.0 Ni Ni82 1 0.54466500 0.28195700 0.90118500 1.0 Ni Ni83 1 0.95533500 0.71804300 0.40118500 1.0 Ni Ni84 1 0.95533500 0.78195700 0.90118500 1.0 Ni Ni85 1 0.54466500 0.21804300 0.40118500 1.0 Ni Ni86 1 0.45533500 0.71804300 0.09881500 1.0 Ni Ni87 1 0.04466500 0.28195700 0.59881500 1.0 Ni Ni88 1 0.08188900 0.16670900 0.46888100 1.0 Ni Ni89 1 0.41811100 0.83329100 0.96888100 1.0 Ni Ni90 1 0.58188900 0.33329100 0.53111900 1.0 Ni Ni91 1 0.91811100 0.66670900 0.03111900 1.0 Ni Ni92 1 0.91811100 0.83329100 0.53111900 1.0 Ni Ni93 1 0.58188900 0.16670900 0.03111900 1.0 Ni Ni94 1 0.41811100 0.66670900 0.46888100 1.0 Ni Ni95 1 0.08188900 0.33329100 0.96888100 1.0 B B96 1 0.97615600 0.06452500 0.17659100 1.0 B B97 1 0.52384400 0.93547500 0.67659100 1.0 B B98 1 0.47615600 0.43547500 0.82340900 1.0 B B99 1 0.02384400 0.56452500 0.32340900 1.0 B B100 1 0.02384400 0.93547500 0.82340900 1.0 B B101 1 0.47615600 0.06452500 0.32340900 1.0 B B102 1 0.52384400 0.56452500 0.17659100 1.0 B B103 1 0.97615600 0.43547500 0.67659100 1.0 B B104 1 0.16713600 0.14980500 0.66606400 1.0 B B105 1 0.33286400 0.85019500 0.16606400 1.0 B B106 1 0.66713600 0.35019500 0.33393600 1.0 B B107 1 0.83286400 0.64980500 0.83393600 1.0 B B108 1 0.83286400 0.85019500 0.33393600 1.0 B B109 1 0.66713600 0.14980500 0.83393600 1.0 B B110 1 0.33286400 0.64980500 0.66606400 1.0 B B111 1 0.16713600 0.35019500 0.16606400 1.0 B B112 1 0.04663200 0.14194900 0.34447400 1.0 B B113 1 0.45336800 0.85805100 0.84447400 1.0 B B114 1 0.54663200 0.35805100 0.65552600 1.0 B B115 1 0.95336800 0.64194900 0.15552600 1.0 B B116 1 0.95336800 0.85805100 0.65552600 1.0 B B117 1 0.54663200 0.14194900 0.15552600 1.0 B B118 1 0.45336800 0.64194900 0.34447400 1.0 B B119 1 0.04663200 0.35805100 0.84447400 1.0 B B120 1 0.21324100 0.14828700 0.56106700 1.0 B B121 1 0.28675900 0.85171300 0.06106700 1.0 B B122 1 0.71324100 0.35171300 0.43893300 1.0 B B123 1 0.78675900 0.64828700 0.93893300 1.0 B B124 1 0.78675900 0.85171300 0.43893300 1.0 B B125 1 0.71324100 0.14828700 0.93893300 1.0 B B126 1 0.28675900 0.64828700 0.56106700 1.0 B B127 1 0.21324100 0.35171300 0.06106700 1.0 B B128 1 0.03853800 0.98076300 0.91817900 1.0 B B129 1 0.46146200 0.01923700 0.41817900 1.0 B B130 1 0.53853800 0.51923700 0.08182100 1.0 B B131 1 0.96146200 0.48076300 0.58182100 1.0 B B132 1 0.96146200 0.01923700 0.08182100 1.0 B B133 1 0.53853800 0.98076300 0.58182100 1.0 B B134 1 0.46146200 0.48076300 0.91817900 1.0 B B135 1 0.03853800 0.51923700 0.41817900 1.0