# generated using pymatgen data_Tm5P12Ir10Ru9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.52905415 _cell_length_b 12.52905400 _cell_length_c 3.91507449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999262 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5P12Ir10Ru9 _chemical_formula_sum 'Tm5 P12 Ir10 Ru9' _cell_volume 532.23969350 _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 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 0.18821569 0.18821569 0.00000000 1.0 Tm Tm3 1 0.81178431 0.00000000 0.00000000 1.0 Tm Tm4 1 0.00000000 0.81178431 0.00000000 1.0 P P5 1 0.30763802 0.82691844 0.00000000 1.0 P P6 1 0.17308156 0.48071958 0.00000000 1.0 P P7 1 0.51928042 0.69236198 0.00000000 1.0 P P8 1 0.82691844 0.30763802 0.00000000 1.0 P P9 1 0.48071958 0.17308156 0.00000000 1.0 P P10 1 0.69236198 0.51928042 0.00000000 1.0 P P11 1 0.36280812 0.36280812 0.50000000 1.0 P P12 1 0.63719188 0.00000000 0.50000000 1.0 P P13 1 0.00000000 0.63719188 0.50000000 1.0 P P14 1 0.81930777 0.81930777 0.50000000 1.0 P P15 1 0.18069223 1.00000000 0.50000000 1.0 P P16 1 1.00000000 0.18069223 0.50000000 1.0 Ir Ir17 1 0.13062698 0.63593523 0.00000000 1.0 Ir Ir18 1 0.36406477 0.49469074 0.00000000 1.0 Ir Ir19 1 0.50530926 0.86937302 0.00000000 1.0 Ir Ir20 1 0.63593523 0.13062698 0.00000000 1.0 Ir Ir21 1 0.49469074 0.36406477 0.00000000 1.0 Ir Ir22 1 0.86937302 0.50530926 0.00000000 1.0 Ir Ir23 1 0.71486310 0.71486310 0.00000000 1.0 Ir Ir24 1 0.28513690 0.00000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.28513690 0.00000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru27 1 0.19517554 0.81766348 0.50000000 1.0 Ru Ru28 1 0.18233652 0.37751207 0.50000000 1.0 Ru Ru29 1 0.62248793 0.80482446 0.50000000 1.0 Ru Ru30 1 0.81766348 0.19517554 0.50000000 1.0 Ru Ru31 1 0.37751207 0.18233652 0.50000000 1.0 Ru Ru32 1 0.80482446 0.62248793 0.50000000 1.0 Ru Ru33 1 0.54741365 0.54741365 0.50000000 1.0 Ru Ru34 1 0.45258635 1.00000000 0.50000000 1.0 Ru Ru35 1 1.00000000 0.45258635 0.50000000 1.0