# generated using pymatgen data_Ga12Fe3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26785768 _cell_length_b 6.26785772 _cell_length_c 6.55106205 _cell_angle_alpha 90.00094838 _cell_angle_beta 90.00095526 _cell_angle_gamma 90.73680740 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga12Fe3Ir _chemical_formula_sum 'Ga12 Fe3 Ir1' _cell_volume 257.34400666 _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 Ga Ga0 1 0.50180401 0.99698668 0.99999625 1.0 Ga Ga1 1 0.99698668 0.50180401 0.99999625 1.0 Ga Ga2 1 0.33969734 0.33969734 0.22900845 1.0 Ga Ga3 1 0.64502222 0.64502222 0.22851398 1.0 Ga Ga4 1 0.85291860 0.16257085 0.25542006 1.0 Ga Ga5 1 0.16257085 0.85291860 0.25542006 1.0 Ga Ga6 1 0.49402119 0.01658963 0.49999326 1.0 Ga Ga7 1 0.01658963 0.49402119 0.49999326 1.0 Ga Ga8 1 0.85290978 0.16257657 0.74458198 1.0 Ga Ga9 1 0.16257657 0.85290978 0.74458198 1.0 Ga Ga10 1 0.33969124 0.33969124 0.77098611 1.0 Ga Ga11 1 0.64502820 0.64502820 0.77147554 1.0 Fe Fe12 1 0.65556503 0.33885754 0.00000104 1.0 Fe Fe13 1 0.33885754 0.65556503 0.00000104 1.0 Fe Fe14 1 0.15742904 0.15742904 0.49998571 1.0 Ir Ir15 1 0.83833310 0.83833310 0.50000002 1.0