# generated using pymatgen data_Sn2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76347324 _cell_length_b 9.11779358 _cell_length_c 14.47365181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2S3 _chemical_formula_sum 'Sn8 S12' _cell_volume 496.65716925 _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 Sn Sn0 1 0.75000000 0.84082655 0.05098051 1.0 Sn Sn1 1 0.25000000 0.15917345 0.94901949 1.0 Sn Sn2 1 0.75000000 0.34082655 0.44901949 1.0 Sn Sn3 1 0.25000000 0.65917345 0.55098051 1.0 Sn Sn4 1 0.75000000 0.46996240 0.83553696 1.0 Sn Sn5 1 0.25000000 0.53003760 0.16446304 1.0 Sn Sn6 1 0.75000000 0.96996240 0.66446304 1.0 Sn Sn7 1 0.25000000 0.03003760 0.33553696 1.0 S S8 1 0.75000000 0.97918754 0.89601560 1.0 S S9 1 0.25000000 0.02081246 0.10398440 1.0 S S10 1 0.75000000 0.47918754 0.60398440 1.0 S S11 1 0.25000000 0.52081246 0.39601560 1.0 S S12 1 0.75000000 0.33279959 0.00174614 1.0 S S13 1 0.25000000 0.66720041 0.99825386 1.0 S S14 1 0.75000000 0.83279959 0.49825386 1.0 S S15 1 0.25000000 0.16720041 0.50174614 1.0 S S16 1 0.75000000 0.71970132 0.20752498 1.0 S S17 1 0.25000000 0.28029868 0.79247502 1.0 S S18 1 0.75000000 0.21970132 0.29247502 1.0 S S19 1 0.25000000 0.78029868 0.70752498 1.0