# generated using pymatgen data_La3Tb2P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01411136 _cell_length_b 12.55315258 _cell_length_c 12.55308615 _cell_angle_alpha 120.00017431 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Tb2P12Ru19 _chemical_formula_sum 'La3 Tb2 P12 Ru19' _cell_volume 547.80072390 _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 0.50000000 0.00000681 0.18328652 1.0 La La1 1 0.50000000 0.18327364 0.00000000 1.0 La La2 1 0.50000000 0.81672129 0.81671348 1.0 Tb Tb3 1 0.00000000 0.33332780 0.66666395 1.0 Tb Tb4 1 0.00000000 0.66666285 0.33333605 1.0 P P5 1 0.00000000 0.00000346 0.80850543 1.0 P P6 1 0.00000000 0.80850602 0.00000000 1.0 P P7 1 0.00000000 0.19149803 0.19149457 1.0 P P8 1 0.50000000 0.30263086 0.47835293 1.0 P P9 1 0.50000000 0.17572314 0.69735862 1.0 P P10 1 0.50000000 0.52162861 0.82426392 1.0 P P11 1 0.50000000 0.82427893 0.52164707 1.0 P P12 1 0.50000000 0.47836352 0.30264138 1.0 P P13 1 0.50000000 0.69736569 0.17573608 1.0 P P14 1 0.00000000 0.99998797 0.37570494 1.0 P P15 1 0.00000000 0.37569478 1.00000000 1.0 P P16 1 0.00000000 0.62428303 0.62429506 1.0 Ru Ru17 1 0.00000000 0.99998706 0.55380925 1.0 Ru Ru18 1 0.00000000 0.55383978 0.00000000 1.0 Ru Ru19 1 0.00000000 0.44617781 0.44619075 1.0 Ru Ru20 1 0.50000000 0.99998446 0.71063520 1.0 Ru Ru21 1 0.50000000 0.71067285 0.00000000 1.0 Ru Ru22 1 0.50000000 0.28934826 0.28936480 1.0 Ru Ru23 1 0.00000000 0.19662883 0.38270531 1.0 Ru Ru24 1 0.00000000 0.18603608 0.80334438 1.0 Ru Ru25 1 0.00000000 0.61729509 0.81389798 1.0 Ru Ru26 1 0.00000000 0.81392452 0.61729469 1.0 Ru Ru27 1 0.00000000 0.38269169 0.19665562 1.0 Ru Ru28 1 0.00000000 0.80339711 0.18610202 1.0 Ru Ru29 1 0.50000000 0.12543963 0.49521460 1.0 Ru Ru30 1 0.50000000 0.36974793 0.87451359 1.0 Ru Ru31 1 0.50000000 0.50476647 0.63020167 1.0 Ru Ru32 1 0.50000000 0.63022503 0.50478540 1.0 Ru Ru33 1 0.50000000 0.49523434 0.12548641 1.0 Ru Ru34 1 0.50000000 0.87456480 0.36979833 1.0 Ru Ru35 1 0.00000000 0.99998279 0.00000000 1.0