data_CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   5.91
_cell_length_c   3.88
_cell_angle_alpha   85.28
_cell_angle_beta   60.02
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuO2
_chemical_formula_sum   'Cu1 O2'
_cell_volume   57.3
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  O  O1  1  0.37  0.63  0.92  1.0
  O  O2  1  0.37  0.63  0.57  1.0

data_CuO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.75
_cell_length_b   11.49
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   110.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuO2
_chemical_formula_sum   'Cu2 O4'
_cell_volume   114.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  O  O1  2  0.37  0.0  0.29  1.0
  O  O2  2  0.37  0.0  0.95  1.0

Cu O O