# generated using pymatgen data_Cr2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51849290 _cell_length_b 6.51849290 _cell_length_c 6.51849245 _cell_angle_alpha 53.90961587 _cell_angle_beta 53.90961587 _cell_angle_gamma 53.90961876 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2S3 _chemical_formula_sum 'Cr4 S6' _cell_volume 167.98103471 _cell_formula_units_Z 2 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 0.67359300 0.67359300 0.67359300 1.0 Cr Cr1 1 0.49571900 0.49571900 0.49571900 1.0 Cr Cr2 1 0.99959100 0.99959100 0.99959100 1.0 Cr Cr3 1 0.33009600 0.33009600 0.33009600 1.0 S S4 1 0.90960100 0.25819000 0.58850400 1.0 S S5 1 0.40635700 0.09046400 0.74788500 1.0 S S6 1 0.58850400 0.90960100 0.25819000 1.0 S S7 1 0.09046400 0.74788500 0.40635700 1.0 S S8 1 0.74788500 0.40635700 0.09046400 1.0 S S9 1 0.25819000 0.58850400 0.90960100 1.0