# generated using pymatgen data_FeB3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78729472 _cell_length_b 2.82266512 _cell_length_c 23.30702308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeB3Ir4 _chemical_formula_sum 'Fe2 B6 Ir8' _cell_volume 183.37032529 _cell_formula_units_Z 2 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 Fe Fe0 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.50000000 0.00000000 0.37708746 1.0 B B3 1 0.00000000 0.00000000 0.12121479 1.0 B B4 1 0.00000000 0.00000000 0.87878521 1.0 B B5 1 0.00000000 0.50000000 0.23956021 1.0 B B6 1 0.00000000 0.50000000 0.76043979 1.0 B B7 1 0.50000000 0.00000000 0.62291254 1.0 Ir Ir8 1 0.50000000 0.50000000 0.91717376 1.0 Ir Ir9 1 0.50000000 0.00000000 0.19588511 1.0 Ir Ir10 1 0.00000000 0.00000000 0.69239586 1.0 Ir Ir11 1 0.50000000 0.00000000 0.80411489 1.0 Ir Ir12 1 0.50000000 0.50000000 0.08282624 1.0 Ir Ir13 1 0.00000000 0.00000000 0.30760414 1.0 Ir Ir14 1 0.00000000 0.50000000 0.41849118 1.0 Ir Ir15 1 0.00000000 0.50000000 0.58150882 1.0