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 [C2]
_cell_length_a [8.2763]
_cell_length_b [8.2701]
_cell_length_c [6.4015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cu8O7]
_chemical_formula_sum '[Cu16 O14]'
_cell_volume [345.9643]
_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  0.0053  0.9975  0.2588  1.0
  Cu  Cu1  4  0.0055  0.4950  0.7730  1.0
  Cu  Cu2  4  0.2457  0.2478  0.2355  1.0
  Cu  Cu3  4  0.2488  0.2518  0.7413  1.0
  O  O4  4  0.2376  0.3777  0.4693  1.0
  O  O5  4  0.2487  0.1179  0.9912  1.0
  O  O6  2  0.0000  0.1319  0.5000  1.0
  O  O7  2  0.0000  0.6206  0.5000  1.0
  O  O8  2  0.0000  0.8701  0.0000  1.0
]