data_[Cu6Cl12O84]
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 [P2_1/c]
_cell_length_a [4.6195]
_cell_length_b [22.4950]
_cell_length_c [14.1550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(ClO7)2]
_chemical_formula_sum '[Cu6 Cl12 O84]'
_cell_volume [1470.8180]
_cell_formula_units_Z [6]
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  0.0033  0.6669  0.9997  1
  Cu  Cu1  2  0.5000  0.0000  0.0000  1
  Cl  Cl2  4  0.2440  0.1651  0.8416  1
  Cl  Cl3  4  0.2756  0.6703  0.3425  1
  Cl  Cl4  4  0.2971  0.5030  0.8415  1
  O  O5  4  0.0719  0.6660  0.6606  1
  O  O6  4  0.1652  0.7249  0.2999  1
  O  O7  4  0.1658  0.0124  0.8953  1
  O  O8  4  0.1731  0.6656  0.4400  1
  O  O9  4  0.1785  0.5531  0.7852  1
  O  O10  4  0.1915  0.6185  0.2881  1
  O  O11  4  0.1957  0.0532  0.3040  1
  O  O12  4  0.2207  0.5097  0.9396  1
  O  O13  4  0.2211  0.0502  0.0464  1
  O  O14  4  0.2216  0.5502  0.5487  1
  O  O15  4  0.2770  0.7166  0.0515  1
  O  O16  4  0.2791  0.1182  0.5512  1
  O  O17  4  0.2808  0.6135  0.0418  1
  O  O18  4  0.2816  0.2190  0.5408  1
  O  O19  4  0.3392  0.6622  0.8955  1
  O  O20  4  0.3423  0.1703  0.9397  1
  O  O21  4  0.3428  0.1083  0.8021  1
  O  O22  4  0.3514  0.1680  0.3983  1
  O  O23  4  0.3517  0.2142  0.7851  1
  O  O24  4  0.3884  0.0074  0.6705  1
  O  O25  4  0.4066  0.1738  0.1523  1
]