# generated using pymatgen data_Ce4S3NCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31065186 _cell_length_b 9.31065186 _cell_length_c 6.92332400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999903 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4S3NCl3 _chemical_formula_sum 'Ce8 S6 N2 Cl6' _cell_volume 519.76312942 _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 0.66666700 0.33333300 0.20766700 1.0 Ce Ce1 1 0.33333300 0.66666700 0.70766700 1.0 Ce Ce2 1 0.79800100 0.20199900 0.75034700 1.0 Ce Ce3 1 0.40399900 0.20199900 0.75034700 1.0 Ce Ce4 1 0.79800100 0.59600100 0.75034700 1.0 Ce Ce5 1 0.20199900 0.79800100 0.25034700 1.0 Ce Ce6 1 0.59600100 0.79800100 0.25034700 1.0 Ce Ce7 1 0.20199900 0.40399900 0.25034700 1.0 S S8 1 0.53120600 0.46879400 0.46956900 1.0 S S9 1 0.93758800 0.46879400 0.46956900 1.0 S S10 1 0.53120600 0.06241200 0.46956900 1.0 S S11 1 0.46879400 0.53120600 0.96956900 1.0 S S12 1 0.06241200 0.53120600 0.96956900 1.0 S S13 1 0.46879400 0.93758800 0.96956900 1.0 N N14 1 0.66666700 0.33333300 0.86285400 1.0 N N15 1 0.33333300 0.66666700 0.36285400 1.0 Cl Cl16 1 0.86962300 0.13037700 0.14084200 1.0 Cl Cl17 1 0.26075400 0.13037700 0.14084200 1.0 Cl Cl18 1 0.86962300 0.73924600 0.14084200 1.0 Cl Cl19 1 0.13037700 0.86962300 0.64084200 1.0 Cl Cl20 1 0.73924600 0.86962300 0.64084200 1.0 Cl Cl21 1 0.13037700 0.26075400 0.64084200 1.0