# generated using pymatgen data_Sm2CuAs3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99137600 _cell_length_b 3.99956800 _cell_length_c 34.82254100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2CuAs3O _chemical_formula_sum 'Sm8 Cu4 As12 O4' _cell_volume 555.89937401 _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 0.75000000 0.75123200 0.96688300 1.0 Sm Sm1 1 0.25000000 0.25123200 0.53311700 1.0 Sm Sm2 1 0.75000000 0.74876800 0.46688300 1.0 Sm Sm3 1 0.25000000 0.24876800 0.03311700 1.0 Sm Sm4 1 0.25000000 0.30797300 0.82417700 1.0 Sm Sm5 1 0.75000000 0.80797300 0.67582300 1.0 Sm Sm6 1 0.25000000 0.19202700 0.32417700 1.0 Sm Sm7 1 0.75000000 0.69202700 0.17582300 1.0 Cu Cu8 1 0.25000000 0.80838000 0.75003600 1.0 Cu Cu9 1 0.75000000 0.30838000 0.74996400 1.0 Cu Cu10 1 0.25000000 0.69162000 0.25003600 1.0 Cu Cu11 1 0.75000000 0.19162000 0.24996400 1.0 As As12 1 0.25000000 0.83099200 0.89297900 1.0 As As13 1 0.75000000 0.33099200 0.60702100 1.0 As As14 1 0.25000000 0.66900800 0.39297900 1.0 As As15 1 0.75000000 0.16900800 0.10702100 1.0 As As16 1 0.75000000 0.25128800 0.89409500 1.0 As As17 1 0.25000000 0.75128800 0.60590500 1.0 As As18 1 0.75000000 0.24871200 0.39409500 1.0 As As19 1 0.25000000 0.74871200 0.10590500 1.0 As As20 1 0.25000000 0.30905200 0.70547700 1.0 As As21 1 0.75000000 0.80905200 0.79452300 1.0 As As22 1 0.25000000 0.19094800 0.20547700 1.0 As As23 1 0.75000000 0.69094800 0.29452300 1.0 O O24 1 0.75000000 0.25129900 0.00013500 1.0 O O25 1 0.25000000 0.75129900 0.49986500 1.0 O O26 1 0.75000000 0.24870100 0.50013500 1.0 O O27 1 0.25000000 0.74870100 0.99986500 1.0