# generated using pymatgen data_Er2(Ni5B3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.79892652 _cell_length_b 9.79892652 _cell_length_c 11.22329500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.78451009 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2(Ni5B3)3 _chemical_formula_sum 'Er8 Ni60 B36' _cell_volume 1026.15043155 _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 Er Er0 1 0.25959700 0.25959700 0.95803700 1.0 Er Er1 1 0.74040300 0.74040300 0.04196300 1.0 Er Er2 1 0.24040300 0.24040300 0.45803700 1.0 Er Er3 1 0.75959700 0.75959700 0.54196300 1.0 Er Er4 1 0.19065100 0.69065100 0.75000000 1.0 Er Er5 1 0.30934900 0.80934900 0.25000000 1.0 Er Er6 1 0.80934900 0.30934900 0.25000000 1.0 Er Er7 1 0.69065100 0.19065100 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 0.23380600 0.23380600 0.71209700 1.0 Ni Ni13 1 0.76619400 0.76619400 0.28790300 1.0 Ni Ni14 1 0.26619400 0.26619400 0.21209700 1.0 Ni Ni15 1 0.73380600 0.73380600 0.78790300 1.0 Ni Ni16 1 0.93065300 0.43065300 0.75000000 1.0 Ni Ni17 1 0.56934700 0.06934700 0.25000000 1.0 Ni Ni18 1 0.06934700 0.56934700 0.25000000 1.0 Ni Ni19 1 0.43065300 0.93065300 0.75000000 1.0 Ni Ni20 1 0.98894600 0.18227100 0.83976800 1.0 Ni Ni21 1 0.81772900 0.01105400 0.16023200 1.0 Ni Ni22 1 0.31772900 0.51105400 0.33976800 1.0 Ni Ni23 1 0.48894600 0.68227100 0.66023200 1.0 Ni Ni24 1 0.01105400 0.81772900 0.16023200 1.0 Ni Ni25 1 0.18227100 0.98894600 0.83976800 1.0 Ni Ni26 1 0.68227100 0.48894600 0.66023200 1.0 Ni Ni27 1 0.51105400 0.31772900 0.33976800 1.0 Ni Ni28 1 0.25603600 0.47022600 0.59675300 1.0 Ni Ni29 1 0.52977400 0.74396400 0.40324700 1.0 Ni Ni30 1 0.02977400 0.24396400 0.09675300 1.0 Ni Ni31 1 0.75603600 0.97022600 0.90324700 1.0 Ni Ni32 1 0.74396400 0.52977400 0.40324700 1.0 Ni Ni33 1 0.47022600 0.25603600 0.59675300 1.0 Ni Ni34 1 0.97022600 0.75603600 0.90324700 1.0 Ni Ni35 1 0.24396400 0.02977400 0.09675300 1.0 Ni Ni36 1 0.99576700 0.22766400 0.61796800 1.0 Ni Ni37 1 0.77233600 0.00423300 0.38203200 1.0 Ni Ni38 1 0.27233600 0.50423300 0.11796800 1.0 Ni Ni39 1 0.49576700 0.72766400 0.88203200 1.0 Ni Ni40 1 0.00423300 0.77233600 0.38203200 1.0 Ni Ni41 1 0.22766400 0.99576700 0.61796800 1.0 Ni Ni42 1 0.72766400 0.49576700 0.88203200 1.0 Ni Ni43 1 0.50423300 0.27233600 0.11796800 1.0 Ni Ni44 1 0.10692300 0.44615000 0.91544700 1.0 Ni Ni45 1 0.55385000 0.89307700 0.08455300 1.0 Ni Ni46 1 0.05385000 0.39307700 0.41544700 1.0 Ni Ni47 1 0.60692300 0.94615000 0.58455300 1.0 Ni Ni48 1 0.89307700 0.55385000 0.08455300 1.0 Ni Ni49 1 0.44615000 0.10692300 0.91544700 1.0 Ni Ni50 1 0.94615000 0.60692300 0.58455300 1.0 Ni Ni51 1 0.39307700 0.05385000 0.41544700 1.0 Ni Ni52 1 0.33073800 0.48916100 0.80667700 1.0 Ni Ni53 1 0.51083900 0.66926200 0.19332300 1.0 Ni Ni54 1 0.01083900 0.16926200 0.30667700 1.0 Ni Ni55 1 0.83073800 0.98916100 0.69332300 1.0 Ni Ni56 1 0.66926200 0.51083900 0.19332300 1.0 Ni Ni57 1 0.48916100 0.33073800 0.80667700 1.0 Ni Ni58 1 0.98916100 0.83073800 0.69332300 1.0 Ni Ni59 1 0.16926200 0.01083900 0.30667700 1.0 Ni Ni60 1 0.83757100 0.36329500 0.53003000 1.0 Ni Ni61 1 0.63670500 0.16242900 0.46997000 1.0 Ni Ni62 1 0.13670500 0.66242900 0.03003000 1.0 Ni Ni63 1 0.33757100 0.86329500 0.96997000 1.0 Ni Ni64 1 0.16242900 0.63670500 0.46997000 1.0 Ni Ni65 1 0.36329500 0.83757100 0.53003000 1.0 Ni Ni66 1 0.86329500 0.33757100 0.96997000 1.0 Ni Ni67 1 0.66242900 0.13670500 0.03003000 1.0 B B68 1 0.36470000 0.63530000 0.50000000 1.0 B B69 1 0.86470000 0.13530000 0.00000000 1.0 B B70 1 0.63530000 0.36470000 0.50000000 1.0 B B71 1 0.13530000 0.86470000 0.00000000 1.0 B B72 1 0.45187900 0.45187900 0.67199600 1.0 B B73 1 0.54812100 0.54812100 0.32800400 1.0 B B74 1 0.04812100 0.04812100 0.17199600 1.0 B B75 1 0.95187900 0.95187900 0.82800400 1.0 B B76 1 0.05666800 0.05666800 0.69947400 1.0 B B77 1 0.94333200 0.94333200 0.30052600 1.0 B B78 1 0.44333200 0.44333200 0.19947400 1.0 B B79 1 0.55666800 0.55666800 0.80052600 1.0 B B80 1 0.12014400 0.37827100 0.74483400 1.0 B B81 1 0.62172900 0.87985600 0.25516600 1.0 B B82 1 0.12172900 0.37985600 0.24483400 1.0 B B83 1 0.62014400 0.87827100 0.75516600 1.0 B B84 1 0.87985600 0.62172900 0.25516600 1.0 B B85 1 0.37827100 0.12014400 0.74483400 1.0 B B86 1 0.87827100 0.62014400 0.75516600 1.0 B B87 1 0.37985600 0.12172900 0.24483400 1.0 B B88 1 0.29790600 0.59336100 0.94918600 1.0 B B89 1 0.40663900 0.70209400 0.05081400 1.0 B B90 1 0.90663900 0.20209400 0.44918600 1.0 B B91 1 0.79790600 0.09336100 0.55081400 1.0 B B92 1 0.70209400 0.40663900 0.05081400 1.0 B B93 1 0.59336100 0.29790600 0.94918600 1.0 B B94 1 0.09336100 0.79790600 0.55081400 1.0 B B95 1 0.20209400 0.90663900 0.44918600 1.0 B B96 1 0.04899900 0.45032700 0.60018800 1.0 B B97 1 0.54967300 0.95100100 0.39981200 1.0 B B98 1 0.04967300 0.45100100 0.10018800 1.0 B B99 1 0.54899900 0.95032700 0.89981200 1.0 B B100 1 0.95100100 0.54967300 0.39981200 1.0 B B101 1 0.45032700 0.04899900 0.60018800 1.0 B B102 1 0.95032700 0.54899900 0.89981200 1.0 B B103 1 0.45100100 0.04967300 0.10018800 1.0