data_[Cu3Cl2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8062]
_cell_length_b [5.7761]
_cell_length_c [6.0259]
_cell_angle_alpha [107.7511]
_cell_angle_beta [104.7863]
_cell_angle_gamma [107.3470]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu3(ClO)2]
_chemical_formula_sum '[Cu3 Cl2 O2]'
_cell_volume [111.3618]
_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  2  0.2159  0.5665  0.8471  1
  Cu  Cu1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.2282  0.8491  0.6586  1
  O  O3  2  0.2270  0.3818  0.0673  1
]