# generated using pymatgen data_Sb2S5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82243400 _cell_length_b 8.96168000 _cell_length_c 13.72018042 _cell_angle_alpha 77.14712066 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2S5 _chemical_formula_sum 'Sb8 S20' _cell_volume 937.71538509 _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 Sb Sb0 1 0.09787800 0.46121900 0.61848700 1.0 Sb Sb1 1 0.59787800 0.03878100 0.38151300 1.0 Sb Sb2 1 0.90212200 0.53878100 0.38151300 1.0 Sb Sb3 1 0.40212200 0.96121900 0.61848700 1.0 Sb Sb4 1 0.17775700 0.58997400 0.88111000 1.0 Sb Sb5 1 0.67775700 0.91002600 0.11889000 1.0 Sb Sb6 1 0.82224300 0.41002600 0.11889000 1.0 Sb Sb7 1 0.32224300 0.08997400 0.88111000 1.0 S S8 1 0.28279300 0.64573000 0.71124500 1.0 S S9 1 0.78279300 0.85427000 0.28875500 1.0 S S10 1 0.71720700 0.35427000 0.28875500 1.0 S S11 1 0.21720700 0.14573000 0.71124500 1.0 S S12 1 0.36473800 0.92951600 0.16735900 1.0 S S13 1 0.86473800 0.57048400 0.83264100 1.0 S S14 1 0.63526200 0.07048400 0.83264100 1.0 S S15 1 0.13526200 0.42951600 0.16735900 1.0 S S16 1 0.36120600 0.08863200 0.24954800 1.0 S S17 1 0.86120600 0.41136800 0.75045200 1.0 S S18 1 0.63879400 0.91136800 0.75045200 1.0 S S19 1 0.13879400 0.58863200 0.24954800 1.0 S S20 1 0.05267800 0.69495600 0.48885100 1.0 S S21 1 0.55267800 0.80504400 0.51114900 1.0 S S22 1 0.94732200 0.30504400 0.51114900 1.0 S S23 1 0.44732200 0.19495600 0.48885100 1.0 S S24 1 0.78081100 0.17325800 0.04842900 1.0 S S25 1 0.28081100 0.32674200 0.95157100 1.0 S S26 1 0.21918900 0.82674200 0.95157100 1.0 S S27 1 0.71918900 0.67325800 0.04842900 1.0