# generated using pymatgen data_Sm2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98836771 _cell_length_b 7.43455468 _cell_length_c 15.47437526 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2S3 _chemical_formula_sum 'Sm8 S12' _cell_volume 458.84211820 _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 0.64334165 0.29565405 1.0 Sm Sm1 1 0.75000000 0.35665835 0.70434595 1.0 Sm Sm2 1 0.25000000 0.14334165 0.20434595 1.0 Sm Sm3 1 0.75000000 0.85665835 0.79565405 1.0 Sm Sm4 1 0.25000000 0.26546606 0.95626059 1.0 Sm Sm5 1 0.75000000 0.73453394 0.04373941 1.0 Sm Sm6 1 0.25000000 0.76546606 0.54373941 1.0 Sm Sm7 1 0.75000000 0.23453394 0.45626059 1.0 S S8 1 0.25000000 0.87466108 0.93265934 1.0 S S9 1 0.75000000 0.12533892 0.06734066 1.0 S S10 1 0.25000000 0.37466108 0.56734066 1.0 S S11 1 0.75000000 0.62533892 0.43265934 1.0 S S12 1 0.25000000 0.64798601 0.71867229 1.0 S S13 1 0.75000000 0.35201399 0.28132771 1.0 S S14 1 0.25000000 0.14798601 0.78132771 1.0 S S15 1 0.75000000 0.85201399 0.21867229 1.0 S S16 1 0.75000000 0.99018991 0.60856718 1.0 S S17 1 0.25000000 0.00981009 0.39143282 1.0 S S18 1 0.75000000 0.49018991 0.89143282 1.0 S S19 1 0.25000000 0.50981009 0.10856718 1.0