# generated using pymatgen data_Lu5P12Ir16Os3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.57704355 _cell_length_b 12.57704362 _cell_length_c 3.93582406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000500 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5P12Ir16Os3 _chemical_formula_sum 'Lu5 P12 Ir16 Os3' _cell_volume 539.16714223 _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 Lu Lu0 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu1 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu2 1 0.81875869 0.81875869 0.50000000 1.0 Lu Lu3 1 0.18124131 1.00000000 0.50000000 1.0 Lu Lu4 1 1.00000000 0.18124131 0.50000000 1.0 P P5 1 0.69009059 0.17108048 0.50000000 1.0 P P6 1 0.82891952 0.51900910 0.50000000 1.0 P P7 1 0.48099090 0.30990941 0.50000000 1.0 P P8 1 0.17108048 0.69009059 0.50000000 1.0 P P9 1 0.51900910 0.82891952 0.50000000 1.0 P P10 1 0.30990941 0.48099090 0.50000000 1.0 P P11 1 0.64331092 0.64331092 0.00000000 1.0 P P12 1 0.35668908 0.00000000 0.00000000 1.0 P P13 1 0.00000000 0.35668908 0.00000000 1.0 P P14 1 0.18031221 0.18031221 0.00000000 1.0 P P15 1 0.81968779 1.00000000 0.00000000 1.0 P P16 1 1.00000000 0.81968779 0.00000000 1.0 Ir Ir17 1 0.80699289 0.18342032 0.00000000 1.0 Ir Ir18 1 0.81657968 0.62357457 0.00000000 1.0 Ir Ir19 1 0.37642543 0.19300711 0.00000000 1.0 Ir Ir20 1 0.18342032 0.80699289 0.00000000 1.0 Ir Ir21 1 0.62357457 0.81657968 0.00000000 1.0 Ir Ir22 1 0.19300711 0.37642543 0.00000000 1.0 Ir Ir23 1 0.46117388 0.46117388 0.00000000 1.0 Ir Ir24 1 0.53882612 1.00000000 0.00000000 1.0 Ir Ir25 1 1.00000000 0.53882612 0.00000000 1.0 Ir Ir26 1 0.86652020 0.36277221 0.50000000 1.0 Ir Ir27 1 0.63722779 0.50374899 0.50000000 1.0 Ir Ir28 1 0.49625101 0.13347980 0.50000000 1.0 Ir Ir29 1 0.36277221 0.86652020 0.50000000 1.0 Ir Ir30 1 0.50374899 0.63722779 0.50000000 1.0 Ir Ir31 1 0.13347980 0.49625101 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Os Os33 1 0.28431426 0.28431426 0.50000000 1.0 Os Os34 1 0.71568574 0.00000000 0.50000000 1.0 Os Os35 1 0.00000000 0.71568574 0.50000000 1.0