# generated using pymatgen data_Sc2CdS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62973602 _cell_length_b 7.62973721 _cell_length_c 7.62973632 _cell_angle_alpha 59.99999941 _cell_angle_beta 59.99999422 _cell_angle_gamma 59.99999359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CdS4 _chemical_formula_sum 'Sc4 Cd2 S8' _cell_volume 314.06069078 _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 Sc Sc0 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc1 1 -0.00000000 0.50000000 0.50000000 1.0 Sc Sc2 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc3 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd4 1 0.87500000 0.87500000 0.87500000 1.0 Cd Cd5 1 0.12500000 0.12500000 0.12500000 1.0 S S6 1 0.73972485 0.73972485 0.73972485 1.0 S S7 1 0.26027515 0.26027515 0.71917354 1.0 S S8 1 0.26027515 0.71917354 0.26027515 1.0 S S9 1 0.71917354 0.26027515 0.26027515 1.0 S S10 1 0.73972485 0.28082646 0.73972485 1.0 S S11 1 0.28082646 0.73972485 0.73972485 1.0 S S12 1 0.26027515 0.26027515 0.26027515 1.0 S S13 1 0.73972485 0.73972485 0.28082646 1.0