# generated using pymatgen data_Sc3GaSn3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58821149 _cell_length_b 7.58821167 _cell_length_c 6.95726354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999058 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3GaSn3Ru2 _chemical_formula_sum 'Sc6 Ga2 Sn6 Ru4' _cell_volume 346.93490072 _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 Sc Sc0 1 0.37797434 0.97611586 0.25000000 1.0 Sc Sc1 1 0.59814152 0.62202566 0.25000000 1.0 Sc Sc2 1 0.02388414 0.40185848 0.25000000 1.0 Sc Sc3 1 0.37692886 0.97458479 0.75000000 1.0 Sc Sc4 1 0.59765593 0.62307114 0.75000000 1.0 Sc Sc5 1 0.02541521 0.40234407 0.75000000 1.0 Ga Ga6 1 0.66666700 0.33333300 0.99616261 1.0 Ga Ga7 1 0.66666700 0.33333300 0.50383739 1.0 Sn Sn8 1 0.72700599 0.00067564 0.00008706 1.0 Sn Sn9 1 0.27366965 0.27299401 0.49991294 1.0 Sn Sn10 1 0.99932436 0.72633035 0.49991294 1.0 Sn Sn11 1 0.99932436 0.72633035 0.00008706 1.0 Sn Sn12 1 0.27366965 0.27299401 0.00008706 1.0 Sn Sn13 1 0.72700599 0.00067564 0.49991294 1.0 Ru Ru14 1 0.33333300 0.66666700 0.00042134 1.0 Ru Ru15 1 0.33333300 0.66666700 0.49957866 1.0 Ru Ru16 1 0.00000000 0.00000000 0.25000000 1.0 Ru Ru17 1 0.00000000 0.00000000 0.75000000 1.0