data_[Cd2Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1369]
_cell_length_b [5.6000]
_cell_length_c [6.1102]
_cell_angle_alpha [64.0699]
_cell_angle_beta [73.5853]
_cell_angle_gamma [86.8855]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdAuO2]
_chemical_formula_sum '[Cd2 Au2 O4]'
_cell_volume [121.7188]
_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  0.2745  0.2704  0.4707  1.0
  Au  Au1  1  0.0000  0.5000  0.0000  1.0
  Au  Au2  1  0.5000  0.0000  0.0000  1.0
  O  O3  2  0.2810  0.7185  0.3601  1.0
  O  O4  2  0.3222  0.8380  0.8085  1.0
]