# generated using pymatgen data_Li3SbS3 _symmetry_space_group_name_H-M Pna2_1 _cell_length_a 7.96710000 _cell_length_b 6.78830000 _cell_length_c 10.09120000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 33 _chemical_formula_structural Li3SbS3 _chemical_formula_sum 'Li12 Sb4 S12' _cell_volume 545.76302482 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, z+1/2' 3 '-x+1/2, y+1/2, z+1/2' 4 'x+1/2, -y+1/2, 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 Li Li0 4 0.06095002 0.92738595 0.77438381 1.0 Li Li1 4 0.06941981 0.65843722 0.32474485 1.0 Li Li2 4 0.22325680 0.65136694 0.62221357 1.0 Sb Sb3 4 0.24941728 0.60233393 0.98979862 1.0 S S4 4 0.02518006 0.88287564 0.52191993 1.0 S S5 4 0.14840265 0.31378749 0.31734769 1.0 S S6 4 0.18955754 0.30092291 0.68702844 1.0