# generated using pymatgen data_Mg13Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.63932452 _cell_length_b 9.63932506 _cell_length_c 9.63932504 _cell_angle_alpha 111.91359315 _cell_angle_beta 111.91359820 _cell_angle_gamma 111.91359496 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg13Ir3 _chemical_formula_sum 'Mg26 Ir6' _cell_volume 619.35149987 _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 -0.00000000 0.50000000 -0.00000000 1.0 Mg Mg1 1 0.50000000 0.00000000 -0.00000000 1.0 Mg Mg2 1 -0.00000000 0.00000000 0.50000000 1.0 Mg Mg3 1 0.50000000 0.00000000 0.50000000 1.0 Mg Mg4 1 -0.00000000 0.50000000 0.50000000 1.0 Mg Mg5 1 0.50000000 0.50000000 -0.00000000 1.0 Mg Mg6 1 0.88108002 0.61891998 0.25000000 1.0 Mg Mg7 1 0.25000000 0.88108002 0.61891998 1.0 Mg Mg8 1 0.61891998 0.25000000 0.88108002 1.0 Mg Mg9 1 0.11891998 0.38108002 0.75000000 1.0 Mg Mg10 1 0.75000000 0.11891998 0.38108002 1.0 Mg Mg11 1 0.38108002 0.75000000 0.11891998 1.0 Mg Mg12 1 0.25000000 0.25000000 0.25000000 1.0 Mg Mg13 1 0.75000000 0.75000000 0.75000000 1.0 Mg Mg14 1 0.40318718 0.60999513 0.72229048 1.0 Mg Mg15 1 0.72229048 0.40318718 0.60999513 1.0 Mg Mg16 1 0.60999513 0.72229048 0.40318718 1.0 Mg Mg17 1 0.89000487 0.09681282 0.77770952 1.0 Mg Mg18 1 0.77770952 0.89000487 0.09681282 1.0 Mg Mg19 1 0.09681282 0.77770952 0.89000487 1.0 Mg Mg20 1 0.59681282 0.39000487 0.27770952 1.0 Mg Mg21 1 0.27770952 0.59681282 0.39000487 1.0 Mg Mg22 1 0.39000487 0.27770952 0.59681282 1.0 Mg Mg23 1 0.10999513 0.90318718 0.22229048 1.0 Mg Mg24 1 0.22229048 0.10999513 0.90318718 1.0 Mg Mg25 1 0.90318718 0.22229048 0.10999513 1.0 Ir Ir26 1 0.92238767 0.75000000 0.57761233 1.0 Ir Ir27 1 0.75000000 0.57761233 0.92238767 1.0 Ir Ir28 1 0.57761233 0.92238767 0.75000000 1.0 Ir Ir29 1 0.07761233 0.25000000 0.42238767 1.0 Ir Ir30 1 0.25000000 0.42238767 0.07761233 1.0 Ir Ir31 1 0.42238767 0.07761233 0.25000000 1.0