# generated using pymatgen data_Tc3Ir2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46944330 _cell_length_b 5.46944332 _cell_length_c 4.30044275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999992 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc3Ir2Ru3 _chemical_formula_sum 'Tc3 Ir2 Ru3' _cell_volume 111.41150794 _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 Tc Tc0 1 0.16100915 0.32201930 0.25000000 1.0 Tc Tc1 1 0.67798070 0.83899085 0.25000000 1.0 Tc Tc2 1 0.16100915 0.83899085 0.25000000 1.0 Ir Ir3 1 0.33333300 0.66666700 0.75000000 1.0 Ir Ir4 1 0.66666700 0.33333300 0.25000000 1.0 Ru Ru5 1 0.83380739 0.66761577 0.75000000 1.0 Ru Ru6 1 0.33238423 0.16619261 0.75000000 1.0 Ru Ru7 1 0.83380739 0.16619261 0.75000000 1.0