# generated using pymatgen data_Ba(CdAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56045012 _cell_length_b 4.56045172 _cell_length_c 7.75628771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000346 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(CdAs)2 _chemical_formula_sum 'Ba1 Cd2 As2' _cell_volume 139.70118799 _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 Ba Ba0 1 0.00000000 -0.00000000 0.00000000 1.0 Cd Cd1 1 0.66666700 0.33333300 0.37100356 1.0 Cd Cd2 1 0.33333300 0.66666700 0.62899644 1.0 As As3 1 0.66666700 0.33333300 0.73516224 1.0 As As4 1 0.33333300 0.66666700 0.26483776 1.0