# generated using pymatgen data_Li5P12Ir16Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.46206173 _cell_length_b 12.46206086 _cell_length_c 3.87796486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999972 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5P12Ir16Rh3 _chemical_formula_sum 'Li5 P12 Ir16 Rh3' _cell_volume 521.57199895 _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 Li Li0 1 0.33333300 0.66666700 0.50000000 1.0 Li Li1 1 0.66666700 0.33333300 0.50000000 1.0 Li Li2 1 0.00000000 0.83632623 0.00000000 1.0 Li Li3 1 0.16367377 0.16367377 0.00000000 1.0 Li Li4 1 0.83632623 1.00000000 0.00000000 1.0 P P5 1 1.00000000 0.63807927 0.50000000 1.0 P P6 1 0.36192073 0.36192073 0.50000000 1.0 P P7 1 0.63807927 0.00000000 0.50000000 1.0 P P8 1 0.51325628 0.68834114 0.00000000 1.0 P P9 1 0.31165886 0.82491515 0.00000000 1.0 P P10 1 0.17508485 0.48674372 0.00000000 1.0 P P11 1 0.48674372 0.17508485 0.00000000 1.0 P P12 1 0.68834114 0.51325628 0.00000000 1.0 P P13 1 0.82491515 0.31165886 0.00000000 1.0 P P14 1 0.00000000 0.17828631 0.50000000 1.0 P P15 1 0.82171369 0.82171369 0.50000000 1.0 P P16 1 0.17828631 1.00000000 0.50000000 1.0 Ir Ir17 1 0.50916962 0.86983156 0.00000000 1.0 Ir Ir18 1 0.13016844 0.63933906 0.00000000 1.0 Ir Ir19 1 0.36066094 0.49083038 0.00000000 1.0 Ir Ir20 1 0.49083038 0.36066094 0.00000000 1.0 Ir Ir21 1 0.86983156 0.50916962 0.00000000 1.0 Ir Ir22 1 0.63933906 0.13016844 0.00000000 1.0 Ir Ir23 1 0.00000000 0.28718261 0.00000000 1.0 Ir Ir24 1 0.71281739 0.71281739 0.00000000 1.0 Ir Ir25 1 0.28718261 1.00000000 0.00000000 1.0 Ir Ir26 1 0.62321098 0.80600645 0.50000000 1.0 Ir Ir27 1 0.19399355 0.81720453 0.50000000 1.0 Ir Ir28 1 0.18279547 0.37678902 0.50000000 1.0 Ir Ir29 1 0.37678902 0.18279547 0.50000000 1.0 Ir Ir30 1 0.80600645 0.62321098 0.50000000 1.0 Ir Ir31 1 0.81720453 0.19399355 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.50000000 1.0 Rh Rh33 1 0.00000000 0.45585521 0.50000000 1.0 Rh Rh34 1 0.54414479 0.54414479 0.50000000 1.0 Rh Rh35 1 0.45585521 1.00000000 0.50000000 1.0