# generated using pymatgen data_TmSc4Ta3Ru8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41065236 _cell_length_b 4.50646979 _cell_length_c 9.02570418 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00058041 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmSc4Ta3Ru8 _chemical_formula_sum 'Tm1 Sc4 Ta3 Ru8' _cell_volume 260.74727939 _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 Tm Tm0 1 0.25001362 0.25000000 0.12499742 1.0 Sc Sc1 1 0.75001540 0.25000000 0.12499692 1.0 Sc Sc2 1 0.25002503 0.75000000 0.37599333 1.0 Sc Sc3 1 0.74998066 0.25000000 0.62499653 1.0 Sc Sc4 1 0.24998175 0.75000000 0.87401176 1.0 Ta Ta5 1 0.75001800 0.75000000 0.37483753 1.0 Ta Ta6 1 0.24997944 0.25000000 0.62501328 1.0 Ta Ta7 1 0.74998811 0.75000000 0.87515134 1.0 Ru Ru8 1 0.51377363 0.75000000 0.12499020 1.0 Ru Ru9 1 0.98624930 0.75000000 0.12499511 1.0 Ru Ru10 1 0.50617088 0.25000000 0.38450934 1.0 Ru Ru11 1 0.99385459 0.25000000 0.38451249 1.0 Ru Ru12 1 0.00124471 0.75000000 0.62500264 1.0 Ru Ru13 1 0.49872840 0.75000000 0.62500809 1.0 Ru Ru14 1 0.99383078 0.25000000 0.86549030 1.0 Ru Ru15 1 0.50614572 0.25000000 0.86549070 1.0