data_[Cu5O5]
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 [Pm]
_cell_length_a [19.1965]
_cell_length_b [3.6202]
_cell_length_c [19.1965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CuO]
_chemical_formula_sum '[Cu5 O5]'
_cell_volume [1155.3234]
_cell_formula_units_Z [5]
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  1  0.3313  0.0000  0.5783  1
  Cu  Cu1  1  0.4102  0.5000  0.5301  1
  Cu  Cu2  1  0.4786  0.0000  0.4697  1
  Cu  Cu3  1  0.5918  0.5000  0.4728  1
  Cu  Cu4  1  0.6975  0.0000  0.4626  1
  O  O5  1  0.3386  0.5000  0.5747  1
  O  O6  1  0.4028  0.0000  0.5039  1
  O  O7  1  0.4944  0.5000  0.4920  1
  O  O8  1  0.5662  0.0000  0.4522  1
  O  O9  1  0.6886  0.5000  0.4640  1
]