# generated using pymatgen data_GdFeB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44225734 _cell_length_b 5.92399772 _cell_length_c 11.47171587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdFeB4 _chemical_formula_sum 'Gd4 Fe4 B16' _cell_volume 233.93036544 _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 Gd Gd0 1 0.50000000 0.62661902 0.65041601 1.0 Gd Gd1 1 0.50000000 0.37338098 0.34958399 1.0 Gd Gd2 1 0.50000000 0.12661902 0.84958399 1.0 Gd Gd3 1 0.50000000 0.87338098 0.15041601 1.0 Fe Fe4 1 0.50000000 0.62740453 0.91698368 1.0 Fe Fe5 1 0.50000000 0.37259547 0.08301632 1.0 Fe Fe6 1 0.50000000 0.12740453 0.58301632 1.0 Fe Fe7 1 0.50000000 0.87259547 0.41698368 1.0 B B8 1 -0.00000000 0.86029157 0.96694613 1.0 B B9 1 -0.00000000 0.13970843 0.03305387 1.0 B B10 1 -0.00000000 0.36029157 0.53305387 1.0 B B11 1 -0.00000000 0.63970843 0.46694613 1.0 B B12 1 -0.00000000 0.97713283 0.68975517 1.0 B B13 1 -0.00000000 0.02286717 0.31024483 1.0 B B14 1 -0.00000000 0.47713283 0.81024483 1.0 B B15 1 -0.00000000 0.52286717 0.18975517 1.0 B B16 1 -0.00000000 0.77914151 0.81716535 1.0 B B17 1 -0.00000000 0.22085849 0.18283465 1.0 B B18 1 -0.00000000 0.27914151 0.68283465 1.0 B B19 1 -0.00000000 0.72085849 0.31716535 1.0 B B20 1 -0.00000000 0.88810281 0.54619215 1.0 B B21 1 -0.00000000 0.11189719 0.45380785 1.0 B B22 1 -0.00000000 0.38810281 0.95380785 1.0 B B23 1 -0.00000000 0.61189719 0.04619215 1.0