# generated using pymatgen data_Ti6Ga5AsRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28175944 _cell_length_b 6.07711383 _cell_length_c 12.83630501 _cell_angle_alpha 90.00000045 _cell_angle_beta 89.99890313 _cell_angle_gamma 89.99998270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Ga5AsRu12 _chemical_formula_sum 'Ti6 Ga5 As1 Ru12' _cell_volume 334.01014880 _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 0.00000043 0.50000072 0.99998839 1.0 Ti Ti1 1 0.49987492 0.00000014 0.17011314 1.0 Ti Ti2 1 0.99986219 0.50000067 0.33369364 1.0 Ti Ti3 1 0.50000043 0.99999897 0.50001675 1.0 Ti Ti4 1 0.00013928 0.50000060 0.66631844 1.0 Ti Ti5 1 0.50012474 0.99999930 0.82987563 1.0 Ga Ga6 1 0.49987793 0.49999537 0.16679302 1.0 Ga Ga7 1 0.99987354 0.00000958 0.33336827 1.0 Ga Ga8 1 0.50000197 0.49999126 0.49998406 1.0 Ga Ga9 1 0.00012651 0.00000473 0.66664907 1.0 Ga Ga10 1 0.50012996 0.49999934 0.83322970 1.0 As As11 1 0.99999997 0.99999910 0.99997802 1.0 Ru Ru12 1 0.49999943 0.24727713 0.99999330 1.0 Ru Ru13 1 0.49999929 0.75272231 0.99999319 1.0 Ru Ru14 1 0.99988920 0.24858938 0.16470009 1.0 Ru Ru15 1 0.99988881 0.75141011 0.16470028 1.0 Ru Ru16 1 0.49987212 0.25007957 0.33278037 1.0 Ru Ru17 1 0.49987201 0.74992055 0.33277997 1.0 Ru Ru18 1 0.00000124 0.25006885 0.50000532 1.0 Ru Ru19 1 0.00000030 0.74993151 0.50000537 1.0 Ru Ru20 1 0.50012499 0.25009761 0.66723055 1.0 Ru Ru21 1 0.50012496 0.74990274 0.66723112 1.0 Ru Ru22 1 0.00010972 0.24858670 0.83528725 1.0 Ru Ru23 1 0.00011007 0.75141377 0.83528707 1.0