data_[Cu2H32Cl4O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  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 [6.4546]
_cell_length_b [12.7070]
_cell_length_c [9.3900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuH16(ClO8)2]
_chemical_formula_sum '[Cu2 H32 Cl4 O32]'
_cell_volume [739.0216]
_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  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.0124  0.1795  0.8653  1
  H  H2  4  0.0457  0.5958  0.7643  1
  H  H3  4  0.1043  0.1283  0.2499  1
  H  H4  4  0.3137  0.6368  0.5329  1
  H  H5  4  0.3159  0.5590  0.4021  1
  H  H6  4  0.3215  0.0976  0.2135  1
  H  H7  4  0.3689  0.0813  0.6612  1
  H  H8  4  0.4028  0.1972  0.7126  1
  Cl  Cl9  4  0.2562  0.6400  0.0910  1
  O  O10  4  0.0375  0.1065  0.8403  1
  O  O11  4  0.0520  0.6771  0.1136  1
  O  O12  4  0.1693  0.1159  0.1686  1
  O  O13  4  0.2173  0.5782  0.9569  1
  O  O14  4  0.2922  0.5625  0.5013  1
  O  O15  4  0.3562  0.1534  0.6246  1
  O  O16  4  0.3693  0.5722  0.2185  1
  O  O17  4  0.3948  0.7307  0.0875  1
]