# generated using pymatgen data_Tm2P3Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.87373537 _cell_length_b 12.87373531 _cell_length_c 3.95372348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2P3Ir4 _chemical_formula_sum 'Tm8 P12 Ir16' _cell_volume 567.47415592 _cell_formula_units_Z 4 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 0.44553723 0.44553723 0.00000000 1.0 Tm Tm1 1 0.55446277 1.00000000 0.00000000 1.0 Tm Tm2 1 1.00000000 0.55446277 0.00000000 1.0 Tm Tm3 1 0.66666700 0.33333300 0.00000000 1.0 Tm Tm4 1 0.33333300 0.66666700 0.00000000 1.0 Tm Tm5 1 0.81496747 0.81496747 0.50000000 1.0 Tm Tm6 1 0.18503253 0.00000000 0.50000000 1.0 Tm Tm7 1 0.00000000 0.18503253 0.50000000 1.0 P P8 1 0.65308832 0.65308832 0.00000000 1.0 P P9 1 0.34691168 0.00000000 0.00000000 1.0 P P10 1 0.00000000 0.34691168 0.00000000 1.0 P P11 1 0.48319542 0.31007085 0.50000000 1.0 P P12 1 0.68992915 0.17312357 0.50000000 1.0 P P13 1 0.82687643 0.51680458 0.50000000 1.0 P P14 1 0.51680458 0.82687643 0.50000000 1.0 P P15 1 0.17312357 0.68992915 0.50000000 1.0 P P16 1 0.82459872 0.00000000 0.00000000 1.0 P P17 1 0.00000000 0.82459872 0.00000000 1.0 P P18 1 0.31007085 0.48319542 0.50000000 1.0 P P19 1 0.17540128 0.17540128 0.00000000 1.0 Ir Ir20 1 0.18934156 0.36846917 0.00000000 1.0 Ir Ir21 1 0.17912662 0.81065844 0.00000000 1.0 Ir Ir22 1 0.82087338 0.63153083 0.00000000 1.0 Ir Ir23 1 0.81065844 0.17912662 0.00000000 1.0 Ir Ir24 1 0.36846917 0.18934156 0.00000000 1.0 Ir Ir25 1 0.13527590 0.49403676 0.50000000 1.0 Ir Ir26 1 0.35876086 0.86472410 0.50000000 1.0 Ir Ir27 1 0.50596324 0.64123914 0.50000000 1.0 Ir Ir28 1 0.64123914 0.50596324 0.50000000 1.0 Ir Ir29 1 0.86472410 0.35876086 0.50000000 1.0 Ir Ir30 1 0.49403676 0.13527590 0.50000000 1.0 Ir Ir31 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir32 1 0.72700220 1.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.72700220 0.50000000 1.0 Ir Ir34 1 0.63153083 0.82087338 0.00000000 1.0 Ir Ir35 1 0.27299780 0.27299780 0.50000000 1.0