# generated using pymatgen data_Tb5P12Ir16Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.60386852 _cell_length_b 12.60386734 _cell_length_c 3.96835017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000310 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5P12Ir16Ru3 _chemical_formula_sum 'Tb5 P12 Ir16 Ru3' _cell_volume 545.94424640 _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 Tb Tb0 1 0.66666700 0.33333300 0.00000000 1.0 Tb Tb1 1 0.33333300 0.66666700 0.00000000 1.0 Tb Tb2 1 0.81731825 0.00000000 0.50000000 1.0 Tb Tb3 1 0.18268175 0.18268175 0.50000000 1.0 Tb Tb4 1 0.00000000 0.81731825 0.50000000 1.0 P P5 1 0.64224012 0.00000000 0.00000000 1.0 P P6 1 0.35775988 0.35775988 0.00000000 1.0 P P7 1 1.00000000 0.64224012 0.00000000 1.0 P P8 1 0.68986880 0.52025225 0.50000000 1.0 P P9 1 0.83038345 0.31013120 0.50000000 1.0 P P10 1 0.31013120 0.83038345 0.50000000 1.0 P P11 1 0.52025225 0.68986880 0.50000000 1.0 P P12 1 0.18191240 0.00000000 0.00000000 1.0 P P13 1 0.81808760 0.81808760 0.00000000 1.0 P P14 1 0.00000000 0.18191240 0.00000000 1.0 P P15 1 0.47974775 0.16961655 0.50000000 1.0 P P16 1 0.16961655 0.47974775 0.50000000 1.0 Ir Ir17 1 0.62253233 0.80443904 0.00000000 1.0 Ir Ir18 1 0.18190671 0.37746767 0.00000000 1.0 Ir Ir19 1 0.37746767 0.18190671 0.00000000 1.0 Ir Ir20 1 0.19556096 0.81809329 0.00000000 1.0 Ir Ir21 1 0.80443904 0.62253233 0.00000000 1.0 Ir Ir22 1 0.86816963 0.50562612 0.50000000 1.0 Ir Ir23 1 0.49437388 0.36254351 0.50000000 1.0 Ir Ir24 1 0.63745649 0.13183037 0.50000000 1.0 Ir Ir25 1 0.13183037 0.63745649 0.50000000 1.0 Ir Ir26 1 0.36254351 0.49437388 0.50000000 1.0 Ir Ir27 1 0.50562612 0.86816963 0.50000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir29 1 0.46163052 0.00000000 0.00000000 1.0 Ir Ir30 1 0.53836948 0.53836948 0.00000000 1.0 Ir Ir31 1 0.00000000 0.46163052 0.00000000 1.0 Ir Ir32 1 0.81809329 0.19556096 0.00000000 1.0 Ru Ru33 1 0.71452014 0.71452014 0.50000000 1.0 Ru Ru34 1 0.00000000 0.28547986 0.50000000 1.0 Ru Ru35 1 0.28547986 0.00000000 0.50000000 1.0