data_[Cu16O14]
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 [I-4m2]
_cell_length_a [5.8485]
_cell_length_b [5.8485]
_cell_length_c [10.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Cu8O7]
_chemical_formula_sum '[Cu16 O14]'
_cell_volume [346.3602]
_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  8  0.0000  0.2457  0.3705  1.0
  Cu  Cu1  8  0.0000  0.2471  0.8845  1.0
  O  O2  4  0.0000  0.0000  0.2346  1.0
  O  O3  4  0.0000  0.5000  0.0044  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
  O  O5  2  0.0000  0.5000  0.2500  1.0
  O  O6  2  0.0000  0.5000  0.7500  1.0
]