# generated using pymatgen data_Ce3CrS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87768339 _cell_length_b 13.50697973 _cell_length_c 16.11890240 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3CrS6 _chemical_formula_sum 'Ce12 Cr4 S24' _cell_volume 844.24026242 _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 Ce Ce0 1 -0.00000000 0.54997114 0.28542760 1.0 Ce Ce1 1 -0.00000000 0.45002886 0.71457240 1.0 Ce Ce2 1 0.50000000 0.95002886 0.78542760 1.0 Ce Ce3 1 0.50000000 0.04997114 0.21457240 1.0 Ce Ce4 1 -0.00000000 0.75797190 0.09819829 1.0 Ce Ce5 1 0.00000000 0.24202810 0.90180171 1.0 Ce Ce6 1 0.50000000 0.74202810 0.59819829 1.0 Ce Ce7 1 0.50000000 0.25797190 0.40180171 1.0 Ce Ce8 1 -0.00000000 0.32011639 0.14753952 1.0 Ce Ce9 1 0.00000000 0.67988361 0.85246048 1.0 Ce Ce10 1 0.50000000 0.17988361 0.64753952 1.0 Ce Ce11 1 0.50000000 0.82011639 0.35246048 1.0 Cr Cr12 1 -0.00000000 -0.00000000 0.50000000 1.0 Cr Cr13 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr14 1 -0.00000000 -0.00000000 0.00000000 1.0 Cr Cr15 1 0.50000000 0.50000000 0.50000000 1.0 S S16 1 -0.00000000 0.12280013 0.10180094 1.0 S S17 1 0.00000000 0.87719987 0.89819906 1.0 S S18 1 0.50000000 0.37719987 0.60180094 1.0 S S19 1 0.50000000 0.62280013 0.39819906 1.0 S S20 1 -0.00000000 0.18600115 0.28916034 1.0 S S21 1 0.00000000 0.81399885 0.71083966 1.0 S S22 1 0.50000000 0.31399885 0.78916034 1.0 S S23 1 0.50000000 0.68600115 0.21083966 1.0 S S24 1 0.00000000 0.17862194 0.51963150 1.0 S S25 1 -0.00000000 0.82137806 0.48036850 1.0 S S26 1 0.50000000 0.32137806 0.01963150 1.0 S S27 1 0.50000000 0.67862194 0.98036850 1.0 S S28 1 0.00000000 0.52390308 0.09599308 1.0 S S29 1 -0.00000000 0.47609692 0.90400692 1.0 S S30 1 0.50000000 0.97609692 0.59599308 1.0 S S31 1 0.50000000 0.02390308 0.40400692 1.0 S S32 1 0.00000000 0.09979058 0.75289728 1.0 S S33 1 -0.00000000 0.90020942 0.24710272 1.0 S S34 1 0.50000000 0.40020942 0.25289728 1.0 S S35 1 0.50000000 0.59979058 0.74710272 1.0 S S36 1 0.00000000 0.41518584 0.42736885 1.0 S S37 1 -0.00000000 0.58481416 0.57263115 1.0 S S38 1 0.50000000 0.08481416 0.92736885 1.0 S S39 1 0.50000000 0.91518584 0.07263115 1.0