# generated using pymatgen data_Sc3GeAs2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76138209 _cell_length_b 6.76138305 _cell_length_c 3.68593445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000978 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3GeAs2Ru3 _chemical_formula_sum 'Sc3 Ge1 As2 Ru3' _cell_volume 145.93155671 _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 Sc Sc0 1 0.40725724 0.40725724 0.00000000 1.0 Sc Sc1 1 0.59274276 1.00000000 0.00000000 1.0 Sc Sc2 1 1.00000000 0.59274276 0.00000000 1.0 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1.0 As As4 1 0.66666700 0.33333300 0.50000000 1.0 As As5 1 0.33333300 0.66666700 0.50000000 1.0 Ru Ru6 1 1.00000000 0.24621151 0.50000000 1.0 Ru Ru7 1 0.75378849 0.75378849 0.50000000 1.0 Ru Ru8 1 0.24621151 1.00000000 0.50000000 1.0