# generated using pymatgen data_La5P12Ir10Ru9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68011628 _cell_length_b 12.68011616 _cell_length_c 4.02625195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000799 _symmetry_Int_Tables_number 1 _chemical_formula_structural La5P12Ir10Ru9 _chemical_formula_sum 'La5 P12 Ir10 Ru9' _cell_volume 560.63216733 _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 La La0 1 1.00000000 0.18569518 0.50000000 1.0 La La1 1 0.81430482 0.81430482 0.50000000 1.0 La La2 1 0.18569518 1.00000000 0.50000000 1.0 La La3 1 0.66666700 0.33333300 0.00000000 1.0 La La4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 1.00000000 0.81471834 0.00000000 1.0 P P6 1 0.18528166 0.18528166 0.00000000 1.0 P P7 1 0.81471834 1.00000000 0.00000000 1.0 P P8 1 0.69271450 0.17367196 0.50000000 1.0 P P9 1 0.82632804 0.51904354 0.50000000 1.0 P P10 1 0.48095646 0.30728550 0.50000000 1.0 P P11 1 0.17367196 0.69271450 0.50000000 1.0 P P12 1 0.51904354 0.82632804 0.50000000 1.0 P P13 1 0.30728550 0.48095646 0.50000000 1.0 P P14 1 0.00000000 0.37051831 0.00000000 1.0 P P15 1 0.62948169 0.62948169 0.00000000 1.0 P P16 1 0.37051831 0.00000000 0.00000000 1.0 Ir Ir17 1 0.00000000 0.54921304 0.00000000 1.0 Ir Ir18 1 0.45078696 0.45078696 0.00000000 1.0 Ir Ir19 1 0.54921304 0.00000000 0.00000000 1.0 Ir Ir20 1 0.80351484 0.18145821 0.00000000 1.0 Ir Ir21 1 0.81854179 0.62205763 0.00000000 1.0 Ir Ir22 1 0.37794237 0.19648516 0.00000000 1.0 Ir Ir23 1 0.18145821 0.80351484 0.00000000 1.0 Ir Ir24 1 0.62205763 0.81854179 0.00000000 1.0 Ir Ir25 1 0.19648516 0.37794237 0.00000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru27 1 1.00000000 0.70751024 0.50000000 1.0 Ru Ru28 1 0.29248976 0.29248976 0.50000000 1.0 Ru Ru29 1 0.70751024 1.00000000 0.50000000 1.0 Ru Ru30 1 0.87519376 0.36494155 0.50000000 1.0 Ru Ru31 1 0.63505845 0.51025221 0.50000000 1.0 Ru Ru32 1 0.48974779 0.12480624 0.50000000 1.0 Ru Ru33 1 0.36494155 0.87519376 0.50000000 1.0 Ru Ru34 1 0.51025221 0.63505845 0.50000000 1.0 Ru Ru35 1 0.12480624 0.48974779 0.50000000 1.0