# generated using pymatgen data_Sm3(GaRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61203443 _cell_length_b 7.81715900 _cell_length_c 13.91793892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3(GaRu)2 _chemical_formula_sum 'Sm12 Ga8 Ru8' _cell_volume 610.58228372 _cell_formula_units_Z 4 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 Sm Sm0 1 0.15456749 0.40297729 0.59527730 1.0 Sm Sm1 1 0.84543251 0.59702271 0.09527730 1.0 Sm Sm2 1 0.15456749 0.09702271 0.40472270 1.0 Sm Sm3 1 0.84543251 0.90297729 0.90472270 1.0 Sm Sm4 1 0.84543251 0.59702271 0.40472270 1.0 Sm Sm5 1 0.15456749 0.40297729 0.90472270 1.0 Sm Sm6 1 0.84543251 0.90297729 0.59527730 1.0 Sm Sm7 1 0.15456749 0.09702271 0.09527730 1.0 Sm Sm8 1 0.62306614 0.26364481 0.75000000 1.0 Sm Sm9 1 0.37693386 0.73635519 0.25000000 1.0 Sm Sm10 1 0.62306614 0.23635519 0.25000000 1.0 Sm Sm11 1 0.37693386 0.76364481 0.75000000 1.0 Ga Ga12 1 0.13109152 0.10535472 0.75000000 1.0 Ga Ga13 1 0.86890848 0.89464528 0.25000000 1.0 Ga Ga14 1 0.13109152 0.39464528 0.25000000 1.0 Ga Ga15 1 0.86890848 0.60535472 0.75000000 1.0 Ga Ga16 1 0.62446617 0.25000000 0.50000000 1.0 Ga Ga17 1 0.37553383 0.75000000 0.00000000 1.0 Ga Ga18 1 0.37553383 0.75000000 0.50000000 1.0 Ga Ga19 1 0.62446617 0.25000000 0.00000000 1.0 Ru Ru20 1 0.35511473 0.03219590 0.59343267 1.0 Ru Ru21 1 0.64488527 0.96780410 0.09343267 1.0 Ru Ru22 1 0.35511473 0.46780410 0.40656733 1.0 Ru Ru23 1 0.64488527 0.53219590 0.90656733 1.0 Ru Ru24 1 0.64488527 0.96780410 0.40656733 1.0 Ru Ru25 1 0.35511473 0.03219590 0.90656733 1.0 Ru Ru26 1 0.64488527 0.53219590 0.59343267 1.0 Ru Ru27 1 0.35511473 0.46780410 0.09343267 1.0