data_[Cd2Cu2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0046]
_cell_length_b [5.3294]
_cell_length_c [5.7855]
_cell_angle_alpha [66.1240]
_cell_angle_beta [73.4675]
_cell_angle_gamma [89.5025]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdCuO2]
_chemical_formula_sum '[Cd2 Cu2 O4]'
_cell_volume [107.4407]
_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  0.2708  0.2567  0.4731  1.0
  Cu  Cu1  1  0.0000  0.5000  0.0000  1.0
  Cu  Cu2  1  0.5000  0.0000  0.0000  1.0
  O  O3  2  0.2918  0.7270  0.3406  1.0
  O  O4  2  0.3007  0.8209  0.8365  1.0
]