# generated using pymatgen data_Er2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71696400 _cell_length_b 8.71696400 _cell_length_c 11.84635200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Fe14B _chemical_formula_sum 'Er8 Fe56 B4' _cell_volume 900.15052236 _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 0.26669800 0.73330200 0.00000000 1.0 Er Er1 1 0.76669800 0.76669800 0.50000000 1.0 Er Er2 1 0.23330200 0.23330200 0.50000000 1.0 Er Er3 1 0.73330200 0.26669800 0.00000000 1.0 Er Er4 1 0.85643600 0.85643600 0.00000000 1.0 Er Er5 1 0.64356400 0.35643600 0.50000000 1.0 Er Er6 1 0.35643600 0.64356400 0.50000000 1.0 Er Er7 1 0.14356400 0.14356400 0.00000000 1.0 Fe Fe8 1 0.14149800 0.46283200 0.32568600 1.0 Fe Fe9 1 0.85850200 0.53716800 0.32568600 1.0 Fe Fe10 1 0.46283200 0.14149800 0.67431400 1.0 Fe Fe11 1 0.96283200 0.35850200 0.82568600 1.0 Fe Fe12 1 0.03716800 0.64149800 0.82568600 1.0 Fe Fe13 1 0.35850200 0.96283200 0.17431400 1.0 Fe Fe14 1 0.64149800 0.03716800 0.17431400 1.0 Fe Fe15 1 0.53716800 0.85850200 0.67431400 1.0 Fe Fe16 1 0.85850200 0.53716800 0.67431400 1.0 Fe Fe17 1 0.14149800 0.46283200 0.67431400 1.0 Fe Fe18 1 0.53716800 0.85850200 0.32568600 1.0 Fe Fe19 1 0.03716800 0.64149800 0.17431400 1.0 Fe Fe20 1 0.96283200 0.35850200 0.17431400 1.0 Fe Fe21 1 0.64149800 0.03716800 0.82568600 1.0 Fe Fe22 1 0.35850200 0.96283200 0.82568600 1.0 Fe Fe23 1 0.46283200 0.14149800 0.32568600 1.0 Fe Fe24 1 0.06601400 0.72436600 0.37406200 1.0 Fe Fe25 1 0.93398600 0.27563400 0.37406200 1.0 Fe Fe26 1 0.72436600 0.06601400 0.62593800 1.0 Fe Fe27 1 0.22436600 0.43398600 0.87406200 1.0 Fe Fe28 1 0.77563400 0.56601400 0.87406200 1.0 Fe Fe29 1 0.43398600 0.22436600 0.12593800 1.0 Fe Fe30 1 0.56601400 0.77563400 0.12593800 1.0 Fe Fe31 1 0.27563400 0.93398600 0.62593800 1.0 Fe Fe32 1 0.93398600 0.27563400 0.62593800 1.0 Fe Fe33 1 0.06601400 0.72436600 0.62593800 1.0 Fe Fe34 1 0.27563400 0.93398600 0.37406200 1.0 Fe Fe35 1 0.77563400 0.56601400 0.12593800 1.0 Fe Fe36 1 0.22436600 0.43398600 0.12593800 1.0 Fe Fe37 1 0.56601400 0.77563400 0.87406200 1.0 Fe Fe38 1 0.43398600 0.22436600 0.87406200 1.0 Fe Fe39 1 0.72436600 0.06601400 0.37406200 1.0 Fe Fe40 1 0.81702100 0.81702100 0.74590500 1.0 Fe Fe41 1 0.18297900 0.18297900 0.74590500 1.0 Fe Fe42 1 0.81702100 0.81702100 0.25409500 1.0 Fe Fe43 1 0.31702100 0.68297900 0.24590500 1.0 Fe Fe44 1 0.68297900 0.31702100 0.24590500 1.0 Fe Fe45 1 0.68297900 0.31702100 0.75409500 1.0 Fe Fe46 1 0.31702100 0.68297900 0.75409500 1.0 Fe Fe47 1 0.18297900 0.18297900 0.25409500 1.0 Fe Fe48 1 0.59714900 0.59714900 0.69944800 1.0 Fe Fe49 1 0.40285100 0.40285100 0.69944800 1.0 Fe Fe50 1 0.59714900 0.59714900 0.30055200 1.0 Fe Fe51 1 0.09714900 0.90285100 0.19944800 1.0 Fe Fe52 1 0.90285100 0.09714900 0.19944800 1.0 Fe Fe53 1 0.90285100 0.09714900 0.80055200 1.0 Fe Fe54 1 0.09714900 0.90285100 0.80055200 1.0 Fe Fe55 1 0.40285100 0.40285100 0.30055200 1.0 Fe Fe56 1 0.00000000 0.00000000 0.61600100 1.0 Fe Fe57 1 0.50000000 0.50000000 0.11600100 1.0 Fe Fe58 1 0.50000000 0.50000000 0.88399900 1.0 Fe Fe59 1 0.00000000 0.00000000 0.38399900 1.0 Fe Fe60 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe62 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.62491000 0.62491000 0.00000000 1.0 B B65 1 0.87509000 0.12491000 0.50000000 1.0 B B66 1 0.12491000 0.87509000 0.50000000 1.0 B B67 1 0.37509000 0.37509000 0.00000000 1.0