data_[Cd2As4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4389]
_cell_length_b [2.9148]
_cell_length_c [7.1442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdAs2Au]
_chemical_formula_sum '[Cd2 As4 Au2]'
_cell_volume [174.7581]
_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
[
  Cd  Cd0  2  0.2719  0.5000  0.2509  1
  As  As1  2  0.0473  0.0000  0.0095  1
  As  As2  2  0.1965  0.0000  0.7264  1
  Au  Au3  2  0.4843  0.0000  0.5133  1
]