# generated using pymatgen data_Ta3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20240408 _cell_length_b 3.20240408 _cell_length_c 15.82712840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ru2 _chemical_formula_sum 'Ta6 Ru4' _cell_volume 162.31340426 _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 Ta Ta0 1 -0.00000000 -0.00000000 0.99540883 1.0 Ta Ta1 1 -0.00000000 -0.00000000 0.20459117 1.0 Ta Ta2 1 -0.00000000 0.00000000 0.40524380 1.0 Ta Ta3 1 -0.00000000 -0.00000000 0.60000000 1.0 Ta Ta4 1 -0.00000000 -0.00000000 0.79475620 1.0 Ta Ta5 1 0.50000000 0.50000000 0.10000000 1.0 Ru Ru6 1 0.50000000 0.50000000 0.30904934 1.0 Ru Ru7 1 0.50000000 0.50000000 0.50217079 1.0 Ru Ru8 1 0.50000000 0.50000000 0.69782921 1.0 Ru Ru9 1 0.50000000 0.50000000 0.89095066 1.0