# generated using pymatgen data_Sc2CdHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90818368 _cell_length_b 4.90818179 _cell_length_c 12.20615951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999969 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CdHg3 _chemical_formula_sum 'Sc4 Cd2 Hg6' _cell_volume 254.65436315 _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 0.00000000 0.00000000 0.50000000 1.0 Sc Sc1 1 0.33333300 0.66666700 0.17555483 1.0 Sc Sc2 1 0.66666700 0.33333300 0.82444517 1.0 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1.0 Cd Cd4 1 0.33333300 0.66666700 0.66860291 1.0 Cd Cd5 1 0.66666700 0.33333300 0.33139709 1.0 Hg Hg6 1 0.33333300 0.66666700 0.41942570 1.0 Hg Hg7 1 0.66666700 0.33333300 0.07380568 1.0 Hg Hg8 1 0.00000000 0.00000000 0.75524924 1.0 Hg Hg9 1 0.00000000 0.00000000 0.24475076 1.0 Hg Hg10 1 0.33333300 0.66666700 0.92619432 1.0 Hg Hg11 1 0.66666700 0.33333300 0.58057430 1.0