# generated using pymatgen data_Ti6Ga5PRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26850181 _cell_length_b 6.06254618 _cell_length_c 12.78887235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00021530 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Ga5PRu12 _chemical_formula_sum 'Ti6 Ga5 P1 Ru12' _cell_volume 330.95030245 _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 Ti Ti0 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.49982198 0.50000100 0.16881900 1.0 Ti Ti2 1 0.99981771 0.00000000 0.33227417 1.0 Ti Ti3 1 0.49999900 0.50000100 0.50000000 1.0 Ti Ti4 1 0.00018029 0.00000000 0.66772583 1.0 Ti Ti5 1 0.50017602 0.50000100 0.83118100 1.0 Ga Ga6 1 0.49985615 0.00000000 0.16571137 1.0 Ga Ga7 1 0.99982572 0.50000100 0.33272244 1.0 Ga Ga8 1 0.49999900 0.00000000 0.50000000 1.0 Ga Ga9 1 0.00017528 0.50000100 0.66727656 1.0 Ga Ga10 1 0.50014385 0.00000000 0.83428863 1.0 P P11 1 0.00000000 0.50000100 0.00000000 1.0 Ru Ru12 1 0.49999900 0.25868790 0.00000000 1.0 Ru Ru13 1 0.49999900 0.74131210 0.00000000 1.0 Ru Ru14 1 0.99985400 0.25513983 0.16113086 1.0 Ru Ru15 1 0.99985400 0.74486017 0.16113086 1.0 Ru Ru16 1 0.49984187 0.24988978 0.33196483 1.0 Ru Ru17 1 0.49984187 0.75011022 0.33196483 1.0 Ru Ru18 1 0.00000000 0.24938643 0.50000000 1.0 Ru Ru19 1 0.00000000 0.75061357 0.50000000 1.0 Ru Ru20 1 0.50015813 0.24988978 0.66803517 1.0 Ru Ru21 1 0.50015813 0.75011022 0.66803517 1.0 Ru Ru22 1 0.00014600 0.25513983 0.83886914 1.0 Ru Ru23 1 0.00014600 0.74486017 0.83886914 1.0