# generated using pymatgen data_Ce3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39333508 _cell_length_b 7.39333508 _cell_length_c 7.39333508 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3S4 _chemical_formula_sum 'Ce6 S8' _cell_volume 311.09947538 _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 Ce Ce0 1 0.87500000 0.25000000 0.12500000 1.0 Ce Ce1 1 0.12500000 0.87500000 0.25000000 1.0 Ce Ce2 1 0.37500000 0.62500000 0.75000000 1.0 Ce Ce3 1 0.25000000 0.12500000 0.87500000 1.0 Ce Ce4 1 0.75000000 0.37500000 0.62500000 1.0 Ce Ce5 1 0.62500000 0.75000000 0.37500000 1.0 S S6 1 0.50000000 0.00000000 0.65105200 1.0 S S7 1 0.15105200 0.50000000 0.00000000 1.0 S S8 1 0.34894800 0.34894800 0.34894800 1.0 S S9 1 0.00000000 0.15105200 0.50000000 1.0 S S10 1 0.84894800 0.84894800 0.84894800 1.0 S S11 1 0.00000000 0.65105200 0.50000000 1.0 S S12 1 0.50000000 0.00000000 0.15105200 1.0 S S13 1 0.65105200 0.50000000 0.00000000 1.0