data_[Cu8H32C24Cl8O16]
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
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.3603]
_cell_length_b [20.7331]
_cell_length_c [8.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [CuH4C3ClO2]
_chemical_formula_sum '[Cu8 H32 C24 Cl8 O16]'
_cell_volume [1160.4974]
_cell_formula_units_Z [8]
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  8  0.1284  0.6784  0.6549  1
  H  H1  8  0.0915  0.0741  0.8770  1
  H  H2  8  0.1085  0.5077  0.1034  1
  H  H3  8  0.1571  0.6494  0.3755  1
  H  H4  8  0.1913  0.1422  0.9943  1
  C  C5  8  0.0575  0.1143  0.9531  1
  C  C6  8  0.1355  0.6178  0.4732  1
  C  C7  8  0.1989  0.0680  0.4895  1
  Cl  Cl8  8  0.0476  0.2240  0.6527  1
  O  O9  8  0.0531  0.0644  0.3954  1
  O  O10  8  0.2211  0.0282  0.6065  1
]