# generated using pymatgen data_Fe9B4Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94478200 _cell_length_b 4.46856300 _cell_length_c 5.43959162 _cell_angle_alpha 89.95576096 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe9B4Ir3 _chemical_formula_sum 'Fe9 B4 Ir3' _cell_volume 168.80786202 _cell_formula_units_Z 1 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 0.18455900 0.64645500 0.32496300 1.0 Fe Fe1 1 0.81147500 0.85879400 0.81800100 1.0 Fe Fe2 1 0.69377800 0.35924200 0.67677300 1.0 Fe Fe3 1 0.30553200 0.14271500 0.17851000 1.0 Fe Fe4 1 0.30622200 0.35924200 0.67677300 1.0 Fe Fe5 1 0.69446800 0.14271500 0.17851000 1.0 Fe Fe6 1 0.81544100 0.64645500 0.32496300 1.0 Fe Fe7 1 0.18852500 0.85879400 0.81800100 1.0 Fe Fe8 1 0.00000000 0.12603400 0.47254800 1.0 B B9 1 0.00000000 0.91555500 0.11849900 1.0 B B10 1 0.00000000 0.57593700 0.61927900 1.0 B B11 1 0.50000000 0.08555000 0.88386200 1.0 B B12 1 0.50000000 0.41455000 0.38071600 1.0 Ir Ir13 1 0.00000000 0.36468700 0.97249100 1.0 Ir Ir14 1 0.50000000 0.87145600 0.52599000 1.0 Ir Ir15 1 0.50000000 0.63182100 0.03012000 1.0