# generated using pymatgen data_Tm2(Ni2B)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93482200 _cell_length_b 9.42936000 _cell_length_c 17.47833600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2(Ni2B)5 _chemical_formula_sum 'Tm16 Ni80 B40' _cell_volume 1472.54374606 _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 Tm Tm0 1 0.12444400 0.85883100 0.27804100 1.0 Tm Tm1 1 0.37555600 0.14116900 0.77804100 1.0 Tm Tm2 1 0.62444400 0.64116900 0.72195900 1.0 Tm Tm3 1 0.87555600 0.35883100 0.22195900 1.0 Tm Tm4 1 0.87555600 0.14116900 0.72195900 1.0 Tm Tm5 1 0.62444400 0.85883100 0.22195900 1.0 Tm Tm6 1 0.37555600 0.35883100 0.27804100 1.0 Tm Tm7 1 0.12444400 0.64116900 0.77804100 1.0 Tm Tm8 1 0.21923500 0.88750400 0.48012600 1.0 Tm Tm9 1 0.28076500 0.11249600 0.98012600 1.0 Tm Tm10 1 0.71923500 0.61249600 0.51987400 1.0 Tm Tm11 1 0.78076500 0.38750400 0.01987400 1.0 Tm Tm12 1 0.78076500 0.11249600 0.51987400 1.0 Tm Tm13 1 0.71923500 0.88750400 0.01987400 1.0 Tm Tm14 1 0.28076500 0.38750400 0.48012600 1.0 Tm Tm15 1 0.21923500 0.61249600 0.98012600 1.0 Ni Ni16 1 0.12152700 0.96216900 0.72717400 1.0 Ni Ni17 1 0.37847300 0.03783100 0.22717400 1.0 Ni Ni18 1 0.62152700 0.53783100 0.27282600 1.0 Ni Ni19 1 0.87847300 0.46216900 0.77282600 1.0 Ni Ni20 1 0.87847300 0.03783100 0.27282600 1.0 Ni Ni21 1 0.62152700 0.96216900 0.77282600 1.0 Ni Ni22 1 0.37847300 0.46216900 0.72717400 1.0 Ni Ni23 1 0.12152700 0.53783100 0.22717400 1.0 Ni Ni24 1 0.12651500 0.17709800 0.23726600 1.0 Ni Ni25 1 0.37348500 0.82290200 0.73726600 1.0 Ni Ni26 1 0.62651500 0.32290200 0.76273400 1.0 Ni Ni27 1 0.87348500 0.67709800 0.26273400 1.0 Ni Ni28 1 0.87348500 0.82290200 0.76273400 1.0 Ni Ni29 1 0.62651500 0.17709800 0.26273400 1.0 Ni Ni30 1 0.37348500 0.67709800 0.23726600 1.0 Ni Ni31 1 0.12651500 0.32290200 0.73726600 1.0 Ni Ni32 1 0.07932400 0.88610400 0.01522800 1.0 Ni Ni33 1 0.42067600 0.11389600 0.51522800 1.0 Ni Ni34 1 0.57932400 0.61389600 0.98477200 1.0 Ni Ni35 1 0.92067600 0.38610400 0.48477200 1.0 Ni Ni36 1 0.92067600 0.11389600 0.98477200 1.0 Ni Ni37 1 0.57932400 0.88610400 0.48477200 1.0 Ni Ni38 1 0.42067600 0.38610400 0.01522800 1.0 Ni Ni39 1 0.07932400 0.61389600 0.51522800 1.0 Ni Ni40 1 0.16172800 0.78160000 0.62748400 1.0 Ni Ni41 1 0.33827200 0.21840000 0.12748400 1.0 Ni Ni42 1 0.66172800 0.71840000 0.37251600 1.0 Ni Ni43 1 0.83827200 0.28160000 0.87251600 1.0 Ni Ni44 1 0.83827200 0.21840000 0.37251600 1.0 Ni Ni45 1 0.66172800 0.78160000 0.87251600 1.0 Ni Ni46 1 0.33827200 0.28160000 0.62748400 1.0 Ni Ni47 1 0.16172800 0.71840000 0.12748400 1.0 Ni Ni48 1 0.17697800 0.99416200 0.13125700 1.0 Ni Ni49 1 0.32302200 0.00583800 0.63125700 1.0 Ni Ni50 1 0.67697800 0.50583800 0.86874300 1.0 Ni Ni51 1 0.82302200 0.49416200 0.36874300 1.0 Ni Ni52 1 0.82302200 0.00583800 0.86874300 1.0 Ni Ni53 1 0.67697800 0.99416200 0.36874300 1.0 Ni Ni54 1 0.32302200 0.49416200 0.13125700 1.0 Ni Ni55 1 0.17697800 0.50583800 0.63125700 1.0 Ni Ni56 1 0.23109700 0.89336100 0.86522800 1.0 Ni Ni57 1 0.26890300 0.10663900 0.36522800 1.0 Ni Ni58 1 0.73109700 0.60663900 0.13477200 1.0 Ni Ni59 1 0.76890300 0.39336100 0.63477200 1.0 Ni Ni60 1 0.76890300 0.10663900 0.13477200 1.0 Ni Ni61 1 0.73109700 0.89336100 0.63477200 1.0 Ni Ni62 1 0.26890300 0.39336100 0.86522800 1.0 Ni Ni63 1 0.23109700 0.60663900 0.36522800 1.0 Ni Ni64 1 0.09155900 0.14715600 0.84961100 1.0 Ni Ni65 1 0.40844100 0.85284400 0.34961100 1.0 Ni Ni66 1 0.59155900 0.35284400 0.15038900 1.0 Ni Ni67 1 0.90844100 0.64715600 0.65038900 1.0 Ni Ni68 1 0.90844100 0.85284400 0.15038900 1.0 Ni Ni69 1 0.59155900 0.14715600 0.65038900 1.0 Ni Ni70 1 0.40844100 0.64715600 0.84961100 1.0 Ni Ni71 1 0.09155900 0.35284400 0.34961100 1.0 Ni Ni72 1 0.04165500 0.02218900 0.59598800 1.0 Ni Ni73 1 0.45834500 0.97781100 0.09598800 1.0 Ni Ni74 1 0.54165500 0.47781100 0.40401200 1.0 Ni Ni75 1 0.95834500 0.52218900 0.90401200 1.0 Ni Ni76 1 0.95834500 0.97781100 0.40401200 1.0 Ni Ni77 1 0.54165500 0.02218900 0.90401200 1.0 Ni Ni78 1 0.45834500 0.52218900 0.59598800 1.0 Ni Ni79 1 0.04165500 0.47781100 0.09598800 1.0 Ni Ni80 1 0.04303700 0.21860600 0.09882800 1.0 Ni Ni81 1 0.45696300 0.78139400 0.59882800 1.0 Ni Ni82 1 0.54303700 0.28139400 0.90117200 1.0 Ni Ni83 1 0.95696300 0.71860600 0.40117200 1.0 Ni Ni84 1 0.95696300 0.78139400 0.90117200 1.0 Ni Ni85 1 0.54303700 0.21860600 0.40117200 1.0 Ni Ni86 1 0.45696300 0.71860600 0.09882800 1.0 Ni Ni87 1 0.04303700 0.28139400 0.59882800 1.0 Ni Ni88 1 0.08179500 0.16682700 0.46898200 1.0 Ni Ni89 1 0.41820500 0.83317300 0.96898200 1.0 Ni Ni90 1 0.58179500 0.33317300 0.53101800 1.0 Ni Ni91 1 0.91820500 0.66682700 0.03101800 1.0 Ni Ni92 1 0.91820500 0.83317300 0.53101800 1.0 Ni Ni93 1 0.58179500 0.16682700 0.03101800 1.0 Ni Ni94 1 0.41820500 0.66682700 0.46898200 1.0 Ni Ni95 1 0.08179500 0.33317300 0.96898200 1.0 B B96 1 0.97659200 0.06424800 0.17672700 1.0 B B97 1 0.52340800 0.93575200 0.67672700 1.0 B B98 1 0.47659200 0.43575200 0.82327300 1.0 B B99 1 0.02340800 0.56424800 0.32327300 1.0 B B100 1 0.02340800 0.93575200 0.82327300 1.0 B B101 1 0.47659200 0.06424800 0.32327300 1.0 B B102 1 0.52340800 0.56424800 0.17672700 1.0 B B103 1 0.97659200 0.43575200 0.67672700 1.0 B B104 1 0.16681400 0.14950400 0.66719600 1.0 B B105 1 0.33318600 0.85049600 0.16719600 1.0 B B106 1 0.66681400 0.35049600 0.33280400 1.0 B B107 1 0.83318600 0.64950400 0.83280400 1.0 B B108 1 0.83318600 0.85049600 0.33280400 1.0 B B109 1 0.66681400 0.14950400 0.83280400 1.0 B B110 1 0.33318600 0.64950400 0.66719600 1.0 B B111 1 0.16681400 0.35049600 0.16719600 1.0 B B112 1 0.04643500 0.14135600 0.34433300 1.0 B B113 1 0.45356500 0.85864400 0.84433300 1.0 B B114 1 0.54643500 0.35864400 0.65566700 1.0 B B115 1 0.95356500 0.64135600 0.15566700 1.0 B B116 1 0.95356500 0.85864400 0.65566700 1.0 B B117 1 0.54643500 0.14135600 0.15566700 1.0 B B118 1 0.45356500 0.64135600 0.34433300 1.0 B B119 1 0.04643500 0.35864400 0.84433300 1.0 B B120 1 0.21331200 0.14859600 0.56050400 1.0 B B121 1 0.28668800 0.85140400 0.06050400 1.0 B B122 1 0.71331200 0.35140400 0.43949600 1.0 B B123 1 0.78668800 0.64859600 0.93949600 1.0 B B124 1 0.78668800 0.85140400 0.43949600 1.0 B B125 1 0.71331200 0.14859600 0.93949600 1.0 B B126 1 0.28668800 0.64859600 0.56050400 1.0 B B127 1 0.21331200 0.35140400 0.06050400 1.0 B B128 1 0.03992100 0.98189600 0.91830600 1.0 B B129 1 0.46007900 0.01810400 0.41830600 1.0 B B130 1 0.53992100 0.51810400 0.08169400 1.0 B B131 1 0.96007900 0.48189600 0.58169400 1.0 B B132 1 0.96007900 0.01810400 0.08169400 1.0 B B133 1 0.53992100 0.98189600 0.58169400 1.0 B B134 1 0.46007900 0.48189600 0.91830600 1.0 B B135 1 0.03992100 0.51810400 0.41830600 1.0