# generated using pymatgen data_ErThFe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74907200 _cell_length_b 8.74907200 _cell_length_c 11.99583200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErThFe14B _chemical_formula_sum 'Er4 Th4 Fe56 B4' _cell_volume 918.23608552 _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 0.64637000 0.64637000 0.50000000 1.0 Er Er1 1 0.35363000 0.35363000 0.50000000 1.0 Er Er2 1 0.85363000 0.14637000 0.00000000 1.0 Er Er3 1 0.14637000 0.85363000 0.00000000 1.0 Th Th4 1 0.23373000 0.76627000 0.50000000 1.0 Th Th5 1 0.76627000 0.23373000 0.50000000 1.0 Th Th6 1 0.26627000 0.26627000 0.00000000 1.0 Th Th7 1 0.73373000 0.73373000 0.00000000 1.0 Fe Fe8 1 0.93212900 0.72496300 0.37241100 1.0 Fe Fe9 1 0.06787100 0.27503700 0.37241100 1.0 Fe Fe10 1 0.56787100 0.22496300 0.87241100 1.0 Fe Fe11 1 0.43212900 0.77503700 0.87241100 1.0 Fe Fe12 1 0.06787100 0.27503700 0.62758900 1.0 Fe Fe13 1 0.93212900 0.72496300 0.62758900 1.0 Fe Fe14 1 0.43212900 0.77503700 0.12758900 1.0 Fe Fe15 1 0.56787100 0.22496300 0.12758900 1.0 Fe Fe16 1 0.72496300 0.93212900 0.37241100 1.0 Fe Fe17 1 0.27503700 0.06787100 0.37241100 1.0 Fe Fe18 1 0.22496300 0.56787100 0.87241100 1.0 Fe Fe19 1 0.77503700 0.43212900 0.87241100 1.0 Fe Fe20 1 0.27503700 0.06787100 0.62758900 1.0 Fe Fe21 1 0.72496300 0.93212900 0.62758900 1.0 Fe Fe22 1 0.77503700 0.43212900 0.12758900 1.0 Fe Fe23 1 0.22496300 0.56787100 0.12758900 1.0 Fe Fe24 1 0.14100200 0.53665100 0.32463000 1.0 Fe Fe25 1 0.85899800 0.46334900 0.32463000 1.0 Fe Fe26 1 0.35899800 0.03665100 0.82463000 1.0 Fe Fe27 1 0.64100200 0.96334900 0.82463000 1.0 Fe Fe28 1 0.85899800 0.46334900 0.67537000 1.0 Fe Fe29 1 0.14100200 0.53665100 0.67537000 1.0 Fe Fe30 1 0.64100200 0.96334900 0.17537000 1.0 Fe Fe31 1 0.35899800 0.03665100 0.17537000 1.0 Fe Fe32 1 0.53665100 0.14100200 0.32463000 1.0 Fe Fe33 1 0.46334900 0.85899800 0.32463000 1.0 Fe Fe34 1 0.03665100 0.35899800 0.82463000 1.0 Fe Fe35 1 0.96334900 0.64100200 0.82463000 1.0 Fe Fe36 1 0.46334900 0.85899800 0.67537000 1.0 Fe Fe37 1 0.53665100 0.14100200 0.67537000 1.0 Fe Fe38 1 0.96334900 0.64100200 0.17537000 1.0 Fe Fe39 1 0.03665100 0.35899800 0.17537000 1.0 Fe Fe40 1 0.18215200 0.81784800 0.25173800 1.0 Fe Fe41 1 0.81784800 0.18215200 0.25173800 1.0 Fe Fe42 1 0.31784800 0.31784800 0.75173800 1.0 Fe Fe43 1 0.68215200 0.68215200 0.75173800 1.0 Fe Fe44 1 0.81784800 0.18215200 0.74826200 1.0 Fe Fe45 1 0.18215200 0.81784800 0.74826200 1.0 Fe Fe46 1 0.68215200 0.68215200 0.24826200 1.0 Fe Fe47 1 0.31784800 0.31784800 0.24826200 1.0 Fe Fe48 1 0.40297200 0.59702800 0.30129400 1.0 Fe Fe49 1 0.59702800 0.40297200 0.30129400 1.0 Fe Fe50 1 0.09702800 0.09702800 0.80129400 1.0 Fe Fe51 1 0.90297200 0.90297200 0.80129400 1.0 Fe Fe52 1 0.59702800 0.40297200 0.69870600 1.0 Fe Fe53 1 0.40297200 0.59702800 0.69870600 1.0 Fe Fe54 1 0.90297200 0.90297200 0.19870600 1.0 Fe Fe55 1 0.09702800 0.09702800 0.19870600 1.0 Fe Fe56 1 0.50000000 0.50000000 0.11769300 1.0 Fe Fe57 1 0.00000000 0.00000000 0.61769300 1.0 Fe Fe58 1 0.50000000 0.50000000 0.88230700 1.0 Fe Fe59 1 0.00000000 0.00000000 0.38230700 1.0 Fe Fe60 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe62 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.87661600 0.87661600 0.50000000 1.0 B B65 1 0.12338400 0.12338400 0.50000000 1.0 B B66 1 0.62338400 0.37661600 0.00000000 1.0 B B67 1 0.37661600 0.62338400 0.00000000 1.0