# generated using pymatgen data_Cr2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02587986 _cell_length_b 6.02587986 _cell_length_c 11.26503400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2S3 _chemical_formula_sum 'Cr8 S12' _cell_volume 354.24528858 _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 Cr Cr0 1 0.66666700 0.33333300 0.48251400 1.0 Cr Cr1 1 0.66666700 0.33333300 0.01748600 1.0 Cr Cr2 1 0.33333300 0.66666700 0.51748600 1.0 Cr Cr3 1 0.33333300 0.66666700 0.98251400 1.0 Cr Cr4 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr5 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr6 1 0.66666700 0.33333300 0.75000000 1.0 Cr Cr7 1 0.33333300 0.66666700 0.25000000 1.0 S S8 1 0.67543600 0.65378500 0.88349500 1.0 S S9 1 0.34621500 0.02165200 0.88349500 1.0 S S10 1 0.97834800 0.32456400 0.88349500 1.0 S S11 1 0.34621500 0.32456400 0.61650500 1.0 S S12 1 0.97834800 0.65378500 0.61650500 1.0 S S13 1 0.67543600 0.02165200 0.61650500 1.0 S S14 1 0.32456400 0.34621500 0.11650500 1.0 S S15 1 0.65378500 0.97834800 0.11650500 1.0 S S16 1 0.32456400 0.97834800 0.38349500 1.0 S S17 1 0.02165200 0.34621500 0.38349500 1.0 S S18 1 0.65378500 0.67543600 0.38349500 1.0 S S19 1 0.02165200 0.67543600 0.11650500 1.0