# generated using pymatgen data_KCd4As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.36659642 _cell_length_b 12.36659642 _cell_length_c 12.36659659 _cell_angle_alpha 20.96255225 _cell_angle_beta 20.96255225 _cell_angle_gamma 20.96254811 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCd4As3 _chemical_formula_sum 'K1 Cd4 As3' _cell_volume 211.97037168 _cell_formula_units_Z 1 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 K K0 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd1 1 0.91090845 0.91090845 0.91090845 1.0 Cd Cd2 1 0.08909155 0.08909155 0.08909155 1.0 Cd Cd3 1 0.69854569 0.69854569 0.69854569 1.0 Cd Cd4 1 0.30145431 0.30145431 0.30145431 1.0 As As5 1 0.77196162 0.77196162 0.77196162 1.0 As As6 1 0.22803838 0.22803838 0.22803838 1.0 As As7 1 0.00000000 0.00000000 -0.00000000 1.0