# generated using pymatgen data_Ti3Ga2AsRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28942503 _cell_length_b 6.05482491 _cell_length_c 12.84258225 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99811230 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Ga2AsRu6 _chemical_formula_sum 'Ti6 Ga4 As2 Ru12' _cell_volume 333.54391780 _cell_formula_units_Z 2 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 0.00001247 0.50000000 0.99659787 1.0 Ti Ti1 1 0.49982778 0.00000000 0.17002597 1.0 Ti Ti2 1 0.99983616 0.50000000 0.33750731 1.0 Ti Ti3 1 0.49999896 0.00000000 0.50109709 1.0 Ti Ti4 1 0.00014911 0.50000000 0.66564295 1.0 Ti Ti5 1 0.50016590 0.00000000 0.82915049 1.0 Ga Ga6 1 0.99985918 0.00000000 0.33410598 1.0 Ga Ga7 1 0.49999715 0.50000000 0.50053293 1.0 Ga Ga8 1 0.00012809 0.00000000 0.66618737 1.0 Ga Ga9 1 0.50017833 0.50000000 0.83260397 1.0 As As10 1 0.99999677 0.00000000 0.99825677 1.0 As As11 1 0.49985331 0.50000000 0.16825682 1.0 Ru Ru12 1 0.49999600 0.24942630 0.00246423 1.0 Ru Ru13 1 0.49999600 0.75057370 0.00246423 1.0 Ru Ru14 1 0.99986246 0.25059363 0.16409416 1.0 Ru Ru15 1 0.99986246 0.74940637 0.16409416 1.0 Ru Ru16 1 0.49985252 0.25157151 0.33025222 1.0 Ru Ru17 1 0.49985252 0.74842849 0.33025222 1.0 Ru Ru18 1 0.99999974 0.25031052 0.49916789 1.0 Ru Ru19 1 0.99999974 0.74968948 0.49916789 1.0 Ru Ru20 1 0.50014234 0.24969959 0.66762801 1.0 Ru Ru21 1 0.50014234 0.75030041 0.66762801 1.0 Ru Ru22 1 0.00014633 0.24844640 0.83641172 1.0 Ru Ru23 1 0.00014633 0.75155360 0.83641172 1.0