# generated using pymatgen data_Mg4Ga5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86945491 _cell_length_b 6.76449641 _cell_length_c 8.34461633 _cell_angle_alpha 79.30112194 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Ga5Ir2 _chemical_formula_sum 'Mg8 Ga10 Ir4' _cell_volume 381.02032598 _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 Mg Mg0 1 0.56096910 0.39608697 0.26394854 1.0 Mg Mg1 1 0.06096910 0.60391303 0.23605146 1.0 Mg Mg2 1 0.43903090 0.60391303 0.73605146 1.0 Mg Mg3 1 0.93903090 0.39608697 0.76394854 1.0 Mg Mg4 1 0.19833232 0.06129308 0.27848316 1.0 Mg Mg5 1 0.69833232 0.93870692 0.22151684 1.0 Mg Mg6 1 0.80166768 0.93870692 0.72151684 1.0 Mg Mg7 1 0.30166768 0.06129308 0.77848316 1.0 Ga Ga8 1 0.50000000 0.00000000 0.50000000 1.0 Ga Ga9 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga10 1 0.25917029 0.37338379 0.50934713 1.0 Ga Ga11 1 0.75917029 0.62661621 0.99065287 1.0 Ga Ga12 1 0.74082971 0.62661621 0.49065287 1.0 Ga Ga13 1 0.24082971 0.37338379 0.00934713 1.0 Ga Ga14 1 0.90395398 0.23143026 0.43906164 1.0 Ga Ga15 1 0.40395398 0.76856974 0.06093836 1.0 Ga Ga16 1 0.09604602 0.76856974 0.56093836 1.0 Ga Ga17 1 0.59604602 0.23143026 0.93906164 1.0 Ir Ir18 1 0.89183359 0.28363023 0.12355015 1.0 Ir Ir19 1 0.39183359 0.71636977 0.37644985 1.0 Ir Ir20 1 0.10816641 0.71636977 0.87644985 1.0 Ir Ir21 1 0.60816641 0.28363023 0.62355015 1.0