# generated using pymatgen data_Ho2(Ni5B2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59560169 _cell_length_b 10.66575987 _cell_length_c 14.23173738 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.49926107 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2(Ni5B2)3 _chemical_formula_sum 'Ho12 Ni90 B36' _cell_volume 1452.04983922 _cell_formula_units_Z 6 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 Ho Ho0 1 0.33968167 0.61273888 0.68714917 1.0 Ho Ho1 1 0.06391047 0.65037522 0.36148950 1.0 Ho Ho2 1 0.16031833 0.11273888 0.31285083 1.0 Ho Ho3 1 0.56391047 0.84962478 0.36148950 1.0 Ho Ho4 1 0.66031833 0.38726112 0.31285083 1.0 Ho Ho5 1 0.79237027 0.62529069 0.97376173 1.0 Ho Ho6 1 0.29237027 0.87470931 0.97376173 1.0 Ho Ho7 1 0.93608953 0.34962478 0.63851050 1.0 Ho Ho8 1 0.20762973 0.37470931 0.02623827 1.0 Ho Ho9 1 0.83968167 0.88726112 0.68714917 1.0 Ho Ho10 1 0.70762973 0.12529069 0.02623827 1.0 Ho Ho11 1 0.43608953 0.15037522 0.63851050 1.0 Ni Ni12 1 0.43452554 0.42598006 0.15719935 1.0 Ni Ni13 1 0.13063674 0.38552604 0.33838176 1.0 Ni Ni14 1 0.29759552 0.27891033 0.47129719 1.0 Ni Ni15 1 0.93275414 0.68404782 0.15200056 1.0 Ni Ni16 1 0.06547446 0.92598006 0.84280065 1.0 Ni Ni17 1 0.07526710 0.56580252 0.56692893 1.0 Ni Ni18 1 0.03682555 0.76592125 0.99088857 1.0 Ni Ni19 1 0.66226186 0.97607183 0.18549235 1.0 Ni Ni20 1 0.86936326 0.61447396 0.66161824 1.0 Ni Ni21 1 0.20240448 0.77891033 0.52870281 1.0 Ni Ni22 1 0.79299820 0.87653162 0.03113970 1.0 Ni Ni23 1 0.29247535 0.53333669 0.48422599 1.0 Ni Ni24 1 0.17477802 0.21141388 0.71184594 1.0 Ni Ni25 1 0.94801855 0.75697168 0.53623737 1.0 Ni Ni26 1 0.59753191 0.74028000 0.68703052 1.0 Ni Ni27 1 0.44222772 0.37979582 0.74693056 1.0 Ni Ni28 1 0.29299820 0.62346838 0.03113970 1.0 Ni Ni29 1 0.56088477 0.20755948 0.17929018 1.0 Ni Ni30 1 0.27007233 0.88158136 0.38685075 1.0 Ni Ni31 1 0.55777228 0.62020418 0.25306944 1.0 Ni Ni32 1 0.44412021 0.04246474 0.07367359 1.0 Ni Ni33 1 0.77007233 0.61841864 0.38685075 1.0 Ni Ni34 1 0.14679661 0.98955077 0.69087027 1.0 Ni Ni35 1 0.17908358 0.75096276 0.14407798 1.0 Ni Ni36 1 0.55198145 0.25697168 0.46376263 1.0 Ni Ni37 1 0.98320400 0.08628253 0.57252819 1.0 Ni Ni38 1 0.55587979 0.95753526 0.92632641 1.0 Ni Ni39 1 0.96317445 0.23407875 0.00911143 1.0 Ni Ni40 1 0.57526710 0.93419748 0.56692893 1.0 Ni Ni41 1 0.30198733 0.48504611 0.86756510 1.0 Ni Ni42 1 0.42473290 0.06580252 0.43307107 1.0 Ni Ni43 1 0.05198145 0.24302832 0.46376263 1.0 Ni Ni44 1 0.93452554 0.07401994 0.15719935 1.0 Ni Ni45 1 0.72992767 0.11841864 0.61314925 1.0 Ni Ni46 1 0.58419136 0.97152861 0.75075385 1.0 Ni Ni47 1 0.82091642 0.24903724 0.85592202 1.0 Ni Ni48 1 0.92473290 0.43419748 0.43307107 1.0 Ni Ni49 1 0.06088477 0.29244052 0.17929018 1.0 Ni Ni50 1 0.67908358 0.74903724 0.14407798 1.0 Ni Ni51 1 0.70752465 0.46666331 0.51577401 1.0 Ni Ni52 1 0.20752465 0.03333669 0.51577401 1.0 Ni Ni53 1 0.79247535 0.96666331 0.48422599 1.0 Ni Ni54 1 0.20700180 0.12346838 0.96886030 1.0 Ni Ni55 1 0.32091642 0.25096276 0.85592202 1.0 Ni Ni56 1 0.56547446 0.57401994 0.84280065 1.0 Ni Ni57 1 0.44801855 0.74302832 0.53623737 1.0 Ni Ni58 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni59 1 0.19889517 0.70128610 0.85021927 1.0 Ni Ni60 1 0.33773814 0.02392817 0.81450765 1.0 Ni Ni61 1 0.64679661 0.51044923 0.69087027 1.0 Ni Ni62 1 0.43275414 0.81595218 0.15200056 1.0 Ni Ni63 1 0.16226186 0.52392817 0.18549235 1.0 Ni Ni64 1 0.67477802 0.28858612 0.71184594 1.0 Ni Ni65 1 0.01679600 0.91371747 0.42747181 1.0 Ni Ni66 1 0.22992767 0.38158136 0.61314925 1.0 Ni Ni67 1 0.32522198 0.71141388 0.28815406 1.0 Ni Ni68 1 0.43911523 0.79244052 0.82070982 1.0 Ni Ni69 1 0.83773814 0.47607183 0.81450765 1.0 Ni Ni70 1 0.80198733 0.01495389 0.86756510 1.0 Ni Ni71 1 0.40246809 0.25972000 0.31296948 1.0 Ni Ni72 1 0.05777228 0.87979582 0.25306944 1.0 Ni Ni73 1 0.69889517 0.79871390 0.85021927 1.0 Ni Ni74 1 0.70240448 0.72108967 0.52870281 1.0 Ni Ni75 1 0.94412021 0.45753526 0.07367359 1.0 Ni Ni76 1 0.93911523 0.70755948 0.82070982 1.0 Ni Ni77 1 0.82522198 0.78858612 0.28815406 1.0 Ni Ni78 1 0.35320339 0.48955077 0.30912973 1.0 Ni Ni79 1 0.30110483 0.20128610 0.14978073 1.0 Ni Ni80 1 0.69801267 0.51495389 0.13243490 1.0 Ni Ni81 1 0.90246809 0.24028000 0.31296948 1.0 Ni Ni82 1 0.41580864 0.02847139 0.24924615 1.0 Ni Ni83 1 0.19801267 0.98504611 0.13243490 1.0 Ni Ni84 1 0.48320400 0.41371747 0.57252819 1.0 Ni Ni85 1 0.79759552 0.22108967 0.47129719 1.0 Ni Ni86 1 0.36936326 0.88552604 0.66161824 1.0 Ni Ni87 1 0.08419136 0.52847139 0.75075385 1.0 Ni Ni88 1 0.56724586 0.18404782 0.84799944 1.0 Ni Ni89 1 0.46317445 0.26592125 0.00911143 1.0 Ni Ni90 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni91 1 0.63063674 0.11447396 0.33838176 1.0 Ni Ni92 1 0.53682555 0.73407875 0.99088857 1.0 Ni Ni93 1 0.06724586 0.31595218 0.84799944 1.0 Ni Ni94 1 0.05587979 0.54246474 0.92632641 1.0 Ni Ni95 1 0.09753191 0.75972000 0.68703052 1.0 Ni Ni96 1 0.91580864 0.47152861 0.24924615 1.0 Ni Ni97 1 0.85320339 0.01044923 0.30912973 1.0 Ni Ni98 1 0.94222772 0.12020418 0.74693056 1.0 Ni Ni99 1 0.70700180 0.37653162 0.96886030 1.0 Ni Ni100 1 0.80110483 0.29871390 0.14978073 1.0 Ni Ni101 1 0.51679600 0.58628253 0.42747181 1.0 B B102 1 0.10690341 0.14690577 0.09619078 1.0 B B103 1 0.49155434 0.37402462 0.89006802 1.0 B B104 1 0.33139900 0.69687331 0.42350999 1.0 B B105 1 0.64255208 0.38888463 0.82380530 1.0 B B106 1 0.99155434 0.12597538 0.89006802 1.0 B B107 1 0.00844566 0.87402462 0.10993198 1.0 B B108 1 0.60690341 0.35309423 0.09619078 1.0 B B109 1 0.85744792 0.88888463 0.17619470 1.0 B B110 1 0.66860100 0.30312669 0.57649001 1.0 B B111 1 0.89309659 0.85309423 0.90380922 1.0 B B112 1 0.21963445 0.38426649 0.75586814 1.0 B B113 1 0.07698494 0.60415424 0.06298277 1.0 B B114 1 0.37217084 0.92235966 0.51894629 1.0 B B115 1 0.57698494 0.89584576 0.06298277 1.0 B B116 1 0.50844566 0.62597538 0.10993198 1.0 B B117 1 0.16860100 0.19687331 0.57649001 1.0 B B118 1 0.25620738 0.35326018 0.22661900 1.0 B B119 1 0.87217084 0.57764034 0.51894629 1.0 B B120 1 0.24379262 0.85326018 0.77338100 1.0 B B121 1 0.35744792 0.61111537 0.17619470 1.0 B B122 1 0.12782916 0.42235966 0.48105371 1.0 B B123 1 0.71963445 0.11573351 0.75586814 1.0 B B124 1 0.83139900 0.80312669 0.42350999 1.0 B B125 1 0.39309659 0.64690577 0.90380922 1.0 B B126 1 0.43215013 0.40665786 0.42578737 1.0 B B127 1 0.14255208 0.11111537 0.82380530 1.0 B B128 1 0.92301506 0.39584576 0.93701723 1.0 B B129 1 0.06784987 0.90665786 0.57421263 1.0 B B130 1 0.93215013 0.09334214 0.42578737 1.0 B B131 1 0.62782916 0.07764034 0.48105371 1.0 B B132 1 0.28036555 0.88426649 0.24413186 1.0 B B133 1 0.56784987 0.59334214 0.57421263 1.0 B B134 1 0.75620738 0.14673982 0.22661900 1.0 B B135 1 0.78036555 0.61573351 0.24413186 1.0 B B136 1 0.42301506 0.10415424 0.93701723 1.0 B B137 1 0.74379262 0.64673982 0.77338100 1.0