data_[Cu16O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3633]
_cell_length_b [5.5153]
_cell_length_c [7.3005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cu8O]
_chemical_formula_sum '[Cu16 O2]'
_cell_volume [215.9512]
_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
[
  Cu  Cu0  4  0.0000  0.2111  0.6412  1
  Cu  Cu1  4  0.2650  0.0000  0.3770  1
  Cu  Cu2  4  0.2839  0.0000  0.8573  1
  Cu  Cu3  4  0.5000  0.2466  0.1178  1
  O  O4  2  0.0000  0.0000  0.0133  1
]