# generated using pymatgen data_Mg3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85811571 _cell_length_b 7.85811591 _cell_length_c 8.17167559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00016421 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Ir _chemical_formula_sum 'Mg18 Ir6' _cell_volume 436.99642116 _cell_formula_units_Z 6 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 0.36952843 0.00000000 0.91129247 1.0 Mg Mg1 1 0.33333300 0.66666600 0.69961223 1.0 Mg Mg2 1 -0.00000000 -0.00000000 0.80659437 1.0 Mg Mg3 1 0.00000000 0.36952843 0.91129247 1.0 Mg Mg4 1 0.66666700 0.33333400 0.19961223 1.0 Mg Mg5 1 0.71094479 -0.00000000 0.07089024 1.0 Mg Mg6 1 0.63047157 0.63047157 0.91129347 1.0 Mg Mg7 1 0.33333400 0.66666700 0.19961223 1.0 Mg Mg8 1 0.36952843 0.36952843 0.41129347 1.0 Mg Mg9 1 0.28905521 0.00000000 0.57089024 1.0 Mg Mg10 1 0.63047157 -0.00000000 0.41129247 1.0 Mg Mg11 1 0.28905521 0.28905521 0.07089024 1.0 Mg Mg12 1 -0.00000000 0.71094479 0.07089024 1.0 Mg Mg13 1 0.00000000 0.28905521 0.57089024 1.0 Mg Mg14 1 0.71094479 0.71094479 0.57089024 1.0 Mg Mg15 1 -0.00000000 0.63047157 0.41129247 1.0 Mg Mg16 1 -0.00000000 -0.00000000 0.30659437 1.0 Mg Mg17 1 0.66666600 0.33333300 0.69961223 1.0 Ir Ir18 1 0.32855242 0.32855242 0.74017636 1.0 Ir Ir19 1 0.67144858 0.67144858 0.24017636 1.0 Ir Ir20 1 0.32855142 -0.00000000 0.24017636 1.0 Ir Ir21 1 0.67144858 0.00000000 0.74017636 1.0 Ir Ir22 1 0.00000000 0.67144858 0.74017636 1.0 Ir Ir23 1 -0.00000000 0.32855142 0.24017636 1.0