# generated using pymatgen data_Mg8P8Ir23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99531000 _cell_length_b 8.61288700 _cell_length_c 17.05325325 _cell_angle_alpha 89.95505911 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg8P8Ir23 _chemical_formula_sum 'Mg8 P8 Ir23' _cell_volume 586.82193562 _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 Mg Mg0 1 0.50000000 0.70912300 0.29428000 1.0 Mg Mg1 1 0.50000000 0.29087700 0.70572000 1.0 Mg Mg2 1 0.50000000 0.21025100 0.20945600 1.0 Mg Mg3 1 0.50000000 0.78974900 0.79054400 1.0 Mg Mg4 1 0.50000000 0.09324200 0.39300300 1.0 Mg Mg5 1 0.50000000 0.90675800 0.60699700 1.0 Mg Mg6 1 0.50000000 0.59303800 0.10929100 1.0 Mg Mg7 1 0.50000000 0.40696200 0.89070900 1.0 P P8 1 0.00000000 0.25846900 0.31495800 1.0 P P9 1 0.00000000 0.74153100 0.68504200 1.0 P P10 1 0.00000000 0.75666200 0.18727700 1.0 P P11 1 0.00000000 0.24333800 0.81272300 1.0 P P12 1 0.00000000 0.86691400 0.38022500 1.0 P P13 1 0.00000000 0.13308600 0.61977500 1.0 P P14 1 0.00000000 0.36788100 0.12183100 1.0 P P15 1 0.00000000 0.63211900 0.87816900 1.0 Ir Ir16 1 0.50000000 0.40178300 0.34762400 1.0 Ir Ir17 1 0.50000000 0.59821700 0.65237600 1.0 Ir Ir18 1 0.50000000 0.90326000 0.15285100 1.0 Ir Ir19 1 0.50000000 0.09674000 0.84714900 1.0 Ir Ir20 1 0.00000000 0.30931100 0.45129000 1.0 Ir Ir21 1 0.00000000 0.69068900 0.54871000 1.0 Ir Ir22 1 0.00000000 0.80373500 0.05076900 1.0 Ir Ir23 1 0.00000000 0.19626500 0.94923100 1.0 Ir Ir24 1 0.00000000 0.59467600 0.39641000 1.0 Ir Ir25 1 0.00000000 0.40532400 0.60359000 1.0 Ir Ir26 1 0.00000000 0.10098300 0.10396800 1.0 Ir Ir27 1 0.00000000 0.89901700 0.89603200 1.0 Ir Ir28 1 0.50000000 0.78705700 0.45336000 1.0 Ir Ir29 1 0.50000000 0.21294300 0.54664000 1.0 Ir Ir30 1 0.50000000 0.29571200 0.04755900 1.0 Ir Ir31 1 0.50000000 0.70428800 0.95244100 1.0 Ir Ir32 1 0.00000000 0.49946500 0.23844200 1.0 Ir Ir33 1 0.00000000 0.50053500 0.76155800 1.0 Ir Ir34 1 0.00000000 0.99956900 0.26252500 1.0 Ir Ir35 1 0.00000000 0.00043100 0.73747500 1.0 Ir Ir36 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir37 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir38 1 0.50000000 0.00000000 0.00000000 1.0