# generated using pymatgen data_Er2(Ni2B)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96762788 _cell_length_b 9.43446842 _cell_length_c 17.52007162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2(Ni2B)5 _chemical_formula_sum 'Er16 Ni80 B40' _cell_volume 1482.28219107 _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 Er Er0 1 0.12401997 0.85901305 0.27792870 1.0 Er Er1 1 0.37598003 0.14098695 0.77792870 1.0 Er Er2 1 0.62401997 0.64098695 0.72207130 1.0 Er Er3 1 0.87598003 0.35901305 0.22207130 1.0 Er Er4 1 0.87598003 0.14098695 0.72207130 1.0 Er Er5 1 0.62401997 0.85901305 0.22207130 1.0 Er Er6 1 0.37598003 0.35901305 0.27792870 1.0 Er Er7 1 0.12401997 0.64098695 0.77792870 1.0 Er Er8 1 0.21987144 0.88723410 0.48011467 1.0 Er Er9 1 0.28012856 0.11276590 0.98011467 1.0 Er Er10 1 0.71987144 0.61276590 0.51988533 1.0 Er Er11 1 0.78012856 0.38723410 0.01988533 1.0 Er Er12 1 0.78012856 0.11276590 0.51988533 1.0 Er Er13 1 0.71987144 0.88723410 0.01988533 1.0 Er Er14 1 0.28012856 0.38723410 0.48011467 1.0 Er Er15 1 0.21987144 0.61276590 0.98011467 1.0 Ni Ni16 1 0.12143104 0.96200557 0.72692949 1.0 Ni Ni17 1 0.37856896 0.03799443 0.22692949 1.0 Ni Ni18 1 0.62143104 0.53799443 0.27307051 1.0 Ni Ni19 1 0.87856896 0.46200557 0.77307051 1.0 Ni Ni20 1 0.87856896 0.03799443 0.27307051 1.0 Ni Ni21 1 0.62143104 0.96200557 0.77307051 1.0 Ni Ni22 1 0.37856896 0.46200557 0.72692949 1.0 Ni Ni23 1 0.12143104 0.53799443 0.22692949 1.0 Ni Ni24 1 0.12632730 0.17625088 0.23692189 1.0 Ni Ni25 1 0.37367270 0.82374912 0.73692189 1.0 Ni Ni26 1 0.62632730 0.32374912 0.76307811 1.0 Ni Ni27 1 0.87367270 0.67625088 0.26307811 1.0 Ni Ni28 1 0.87367270 0.82374912 0.76307811 1.0 Ni Ni29 1 0.62632730 0.17625088 0.26307811 1.0 Ni Ni30 1 0.37367270 0.67625088 0.23692189 1.0 Ni Ni31 1 0.12632730 0.32374912 0.73692189 1.0 Ni Ni32 1 0.07826945 0.88658999 0.01581489 1.0 Ni Ni33 1 0.42173055 0.11341001 0.51581489 1.0 Ni Ni34 1 0.57826945 0.61341001 0.98418511 1.0 Ni Ni35 1 0.92173055 0.38658999 0.48418511 1.0 Ni Ni36 1 0.92173055 0.11341001 0.98418511 1.0 Ni Ni37 1 0.57826945 0.88658999 0.48418511 1.0 Ni Ni38 1 0.42173055 0.38658999 0.01581489 1.0 Ni Ni39 1 0.07826945 0.61341001 0.51581489 1.0 Ni Ni40 1 0.16202793 0.78165215 0.62717310 1.0 Ni Ni41 1 0.33797207 0.21834785 0.12717310 1.0 Ni Ni42 1 0.66202793 0.71834785 0.37282690 1.0 Ni Ni43 1 0.83797207 0.28165215 0.87282690 1.0 Ni Ni44 1 0.83797207 0.21834785 0.37282690 1.0 Ni Ni45 1 0.66202793 0.78165215 0.87282690 1.0 Ni Ni46 1 0.33797207 0.28165215 0.62717310 1.0 Ni Ni47 1 0.16202793 0.71834785 0.12717310 1.0 Ni Ni48 1 0.17698661 0.99392022 0.13037887 1.0 Ni Ni49 1 0.32301339 0.00607978 0.63037887 1.0 Ni Ni50 1 0.67698661 0.50607978 0.86962113 1.0 Ni Ni51 1 0.82301339 0.49392022 0.36962113 1.0 Ni Ni52 1 0.82301339 0.00607978 0.86962113 1.0 Ni Ni53 1 0.67698661 0.99392022 0.36962113 1.0 Ni Ni54 1 0.32301339 0.49392022 0.13037887 1.0 Ni Ni55 1 0.17698661 0.50607978 0.63037887 1.0 Ni Ni56 1 0.23133316 0.89330035 0.86496666 1.0 Ni Ni57 1 0.26866684 0.10669965 0.36496666 1.0 Ni Ni58 1 0.73133316 0.60669965 0.13503334 1.0 Ni Ni59 1 0.76866684 0.39330035 0.63503334 1.0 Ni Ni60 1 0.76866684 0.10669965 0.13503334 1.0 Ni Ni61 1 0.73133316 0.89330035 0.63503334 1.0 Ni Ni62 1 0.26866684 0.39330035 0.86496666 1.0 Ni Ni63 1 0.23133316 0.60669965 0.36496666 1.0 Ni Ni64 1 0.09060935 0.14696165 0.84997925 1.0 Ni Ni65 1 0.40939065 0.85303835 0.34997925 1.0 Ni Ni66 1 0.59060935 0.35303835 0.15002075 1.0 Ni Ni67 1 0.90939065 0.64696165 0.65002075 1.0 Ni Ni68 1 0.90939065 0.85303835 0.15002075 1.0 Ni Ni69 1 0.59060935 0.14696165 0.65002075 1.0 Ni Ni70 1 0.40939065 0.64696165 0.84997925 1.0 Ni Ni71 1 0.09060935 0.35303835 0.34997925 1.0 Ni Ni72 1 0.04260235 0.02209131 0.59622353 1.0 Ni Ni73 1 0.45739765 0.97790869 0.09622353 1.0 Ni Ni74 1 0.54260235 0.47790869 0.40377647 1.0 Ni Ni75 1 0.95739765 0.52209131 0.90377647 1.0 Ni Ni76 1 0.95739765 0.97790869 0.40377647 1.0 Ni Ni77 1 0.54260235 0.02209131 0.90377647 1.0 Ni Ni78 1 0.45739765 0.52209131 0.59622353 1.0 Ni Ni79 1 0.04260235 0.47790869 0.09622353 1.0 Ni Ni80 1 0.04361548 0.21872206 0.09840394 1.0 Ni Ni81 1 0.45638452 0.78127794 0.59840394 1.0 Ni Ni82 1 0.54361548 0.28127794 0.90159606 1.0 Ni Ni83 1 0.95638452 0.71872206 0.40159606 1.0 Ni Ni84 1 0.95638452 0.78127794 0.90159606 1.0 Ni Ni85 1 0.54361548 0.21872206 0.40159606 1.0 Ni Ni86 1 0.45638452 0.71872206 0.09840394 1.0 Ni Ni87 1 0.04361548 0.28127794 0.59840394 1.0 Ni Ni88 1 0.08060411 0.16616537 0.46844249 1.0 Ni Ni89 1 0.41939589 0.83383463 0.96844249 1.0 Ni Ni90 1 0.58060411 0.33383463 0.53155751 1.0 Ni Ni91 1 0.91939589 0.66616537 0.03155751 1.0 Ni Ni92 1 0.91939589 0.83383463 0.53155751 1.0 Ni Ni93 1 0.58060411 0.16616537 0.03155751 1.0 Ni Ni94 1 0.41939589 0.66616537 0.46844249 1.0 Ni Ni95 1 0.08060411 0.33383463 0.96844249 1.0 B B96 1 0.97610487 0.06402497 0.17665099 1.0 B B97 1 0.52389513 0.93597503 0.67665099 1.0 B B98 1 0.47610487 0.43597503 0.82334901 1.0 B B99 1 0.02389513 0.56402497 0.32334901 1.0 B B100 1 0.02389513 0.93597503 0.82334901 1.0 B B101 1 0.47610487 0.06402497 0.32334901 1.0 B B102 1 0.52389513 0.56402497 0.17665099 1.0 B B103 1 0.97610487 0.43597503 0.67665099 1.0 B B104 1 0.16628188 0.14778042 0.66735005 1.0 B B105 1 0.33371812 0.85221958 0.16735005 1.0 B B106 1 0.66628188 0.35221958 0.33264995 1.0 B B107 1 0.83371812 0.64778042 0.83264995 1.0 B B108 1 0.83371812 0.85221958 0.33264995 1.0 B B109 1 0.66628188 0.14778042 0.83264995 1.0 B B110 1 0.33371812 0.64778042 0.66735005 1.0 B B111 1 0.16628188 0.35221958 0.16735005 1.0 B B112 1 0.04810297 0.14125926 0.34487840 1.0 B B113 1 0.45189703 0.85874074 0.84487840 1.0 B B114 1 0.54810297 0.35874074 0.65512160 1.0 B B115 1 0.95189703 0.64125926 0.15512160 1.0 B B116 1 0.95189703 0.85874074 0.65512160 1.0 B B117 1 0.54810297 0.14125926 0.15512160 1.0 B B118 1 0.45189703 0.64125926 0.34487840 1.0 B B119 1 0.04810297 0.35874074 0.84487840 1.0 B B120 1 0.21217109 0.14820251 0.56174498 1.0 B B121 1 0.28782891 0.85179749 0.06174498 1.0 B B122 1 0.71217109 0.35179749 0.43825502 1.0 B B123 1 0.78782891 0.64820251 0.93825502 1.0 B B124 1 0.78782891 0.85179749 0.43825502 1.0 B B125 1 0.71217109 0.14820251 0.93825502 1.0 B B126 1 0.28782891 0.64820251 0.56174498 1.0 B B127 1 0.21217109 0.35179749 0.06174498 1.0 B B128 1 0.03831175 0.98093181 0.91787628 1.0 B B129 1 0.46168825 0.01906819 0.41787628 1.0 B B130 1 0.53831175 0.51906819 0.08212372 1.0 B B131 1 0.96168825 0.48093181 0.58212372 1.0 B B132 1 0.96168825 0.01906819 0.08212372 1.0 B B133 1 0.53831175 0.98093181 0.58212372 1.0 B B134 1 0.46168825 0.48093181 0.91787628 1.0 B B135 1 0.03831175 0.51906819 0.41787628 1.0