# generated using pymatgen data_Sm3GaI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.72264120 _cell_length_b 10.72264076 _cell_length_c 10.72263963 _cell_angle_alpha 109.47122414 _cell_angle_beta 109.47122331 _cell_angle_gamma 109.47121878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3GaI3 _chemical_formula_sum 'Sm12 Ga4 I12' _cell_volume 949.03739704 _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 0.25000000 0.98433052 0.01566948 1.0 Sm Sm1 1 0.76566948 0.53133797 0.01566948 1.0 Sm Sm2 1 0.51566948 0.76566948 0.03133797 1.0 Sm Sm3 1 0.25000000 0.76566948 0.23433052 1.0 Sm Sm4 1 0.98433052 0.96866203 0.23433052 1.0 Sm Sm5 1 0.73433052 0.25000000 0.26566948 1.0 Sm Sm6 1 0.53133797 0.51566948 0.26566948 1.0 Sm Sm7 1 0.73433052 0.98433052 0.46866203 1.0 Sm Sm8 1 0.51566948 0.25000000 0.48433052 1.0 Sm Sm9 1 0.96866203 0.73433052 0.48433052 1.0 Sm Sm10 1 0.98433052 0.51566948 0.75000000 1.0 Sm Sm11 1 0.76566948 0.73433052 0.75000000 1.0 Ga Ga12 1 0.00000000 0.75000000 0.00000000 1.0 Ga Ga13 1 0.50000000 0.00000000 0.25000000 1.0 Ga Ga14 1 0.75000000 0.75000000 0.25000000 1.0 Ga Ga15 1 0.75000000 0.50000000 0.50000000 1.0 I I16 1 0.24257373 0.25742627 0.25000000 1.0 I I17 1 0.00742627 0.49257473 0.25000100 1.0 I I18 1 0.01485253 0.25742627 0.50742627 1.0 I I19 1 0.49257473 0.75000000 0.50742627 1.0 I I20 1 0.25742627 0.00742627 0.51485253 1.0 I I21 1 0.48514847 0.49257373 0.74257373 1.0 I I22 1 0.25742627 0.75000000 0.74257373 1.0 I I23 1 0.00742527 0.01485153 0.75742627 1.0 I I24 1 0.75000000 0.24257373 0.75742627 1.0 I I25 1 0.49257473 0.24257473 0.98514847 1.0 I I26 1 0.75000000 0.00742627 0.99257373 1.0 I I27 1 0.24257373 0.48514847 0.99257373 1.0