# generated using pymatgen data_Tm5Nb3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68006397 _cell_length_b 12.68006356 _cell_length_c 3.95276507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Nb3(P3Ir4)4 _chemical_formula_sum 'Tm5 Nb3 P12 Ir16' _cell_volume 550.39504624 _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 0.33333300 0.66666700 0.00000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.00000000 1.0 Tm Tm2 1 0.81490728 1.00000000 0.50000000 1.0 Tm Tm3 1 1.00000000 0.81490728 0.50000000 1.0 Tm Tm4 1 0.18509272 0.18509272 0.50000000 1.0 Nb Nb5 1 0.45200610 1.00000000 0.00000000 1.0 Nb Nb6 1 1.00000000 0.45200610 0.00000000 1.0 Nb Nb7 1 0.54799390 0.54799390 0.00000000 1.0 P P8 1 0.17585788 1.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17585788 0.00000000 1.0 P P10 1 0.82414212 0.82414212 0.00000000 1.0 P P11 1 0.16756859 0.48308016 0.50000000 1.0 P P12 1 0.51691984 0.68448643 0.50000000 1.0 P P13 1 0.31551357 0.83243141 0.50000000 1.0 P P14 1 0.68448643 0.51691984 0.50000000 1.0 P P15 1 0.83243141 0.31551357 0.50000000 1.0 P P16 1 0.48308016 0.16756859 0.50000000 1.0 P P17 1 0.64343922 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64343922 0.00000000 1.0 P P19 1 0.35656078 0.35656078 0.00000000 1.0 Ir Ir20 1 0.35545443 0.49347673 0.50000000 1.0 Ir Ir21 1 0.50652327 0.86197770 0.50000000 1.0 Ir Ir22 1 0.13802230 0.64454557 0.50000000 1.0 Ir Ir23 1 0.86197770 0.50652327 0.50000000 1.0 Ir Ir24 1 0.64454557 0.13802230 0.50000000 1.0 Ir Ir25 1 0.49347673 0.35545443 0.50000000 1.0 Ir Ir26 1 0.17827924 0.37118582 0.00000000 1.0 Ir Ir27 1 0.62881418 0.80709342 0.00000000 1.0 Ir Ir28 1 0.19290658 0.82172076 0.00000000 1.0 Ir Ir29 1 0.80709342 0.62881418 0.00000000 1.0 Ir Ir30 1 0.82172076 0.19290658 0.00000000 1.0 Ir Ir31 1 0.37118582 0.17827924 0.00000000 1.0 Ir Ir32 1 0.28190572 1.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.28190572 0.50000000 1.0 Ir Ir34 1 0.71809428 0.71809428 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0