# generated using pymatgen data_Tm3Th5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.00153491 _cell_length_b 13.00153605 _cell_length_c 4.05608581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Th5(P3Ir4)4 _chemical_formula_sum 'Tm3 Th5 P12 Ir16' _cell_volume 593.78202660 _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 Tm Tm0 1 0.00000000 0.44440335 0.50000000 1.0 Tm Tm1 1 0.55559665 0.55559665 0.50000000 1.0 Tm Tm2 1 0.44440335 1.00000000 0.50000000 1.0 Th Th3 1 0.33333300 0.66666700 0.50000000 1.0 Th Th4 1 0.66666700 0.33333300 0.50000000 1.0 Th Th5 1 1.00000000 0.81681456 0.00000000 1.0 Th Th6 1 0.18318544 0.18318544 0.00000000 1.0 Th Th7 1 0.81681456 0.00000000 0.00000000 1.0 P P8 1 1.00000000 0.64832684 0.50000000 1.0 P P9 1 0.35167316 0.35167316 0.50000000 1.0 P P10 1 0.64832684 0.00000000 0.50000000 1.0 P P11 1 0.52030781 0.68679658 0.00000000 1.0 P P12 1 0.31320342 0.83351123 0.00000000 1.0 P P13 1 0.16648877 0.47969219 0.00000000 1.0 P P14 1 0.47969219 0.16648877 0.00000000 1.0 P P15 1 0.68679658 0.52030781 0.00000000 1.0 P P16 1 0.83351123 0.31320342 0.00000000 1.0 P P17 1 1.00000000 0.17773684 0.50000000 1.0 P P18 1 0.82226316 0.82226316 0.50000000 1.0 P P19 1 0.17773684 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50821171 0.86263900 0.00000000 1.0 Ir Ir21 1 0.13736100 0.64557171 0.00000000 1.0 Ir Ir22 1 0.35442829 0.49178829 0.00000000 1.0 Ir Ir23 1 0.49178829 0.35442829 0.00000000 1.0 Ir Ir24 1 0.86263900 0.50821171 0.00000000 1.0 Ir Ir25 1 0.64557171 0.13736100 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27963048 0.00000000 1.0 Ir Ir27 1 0.72036952 0.72036952 0.00000000 1.0 Ir Ir28 1 0.27963048 0.00000000 0.00000000 1.0 Ir Ir29 1 0.63024975 0.80902429 0.50000000 1.0 Ir Ir30 1 0.19097571 0.82122546 0.50000000 1.0 Ir Ir31 1 0.17877454 0.36975025 0.50000000 1.0 Ir Ir32 1 0.36975025 0.17877454 0.50000000 1.0 Ir Ir33 1 0.80902429 0.63024975 0.50000000 1.0 Ir Ir34 1 0.82122546 0.19097571 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0