data_[Cu4H2Cl12]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0825]
_cell_length_b [6.7745]
_cell_length_c [11.1871]
_cell_angle_alpha [79.8911]
_cell_angle_beta [86.0660]
_cell_angle_gamma [87.3826]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2HCl6]
_chemical_formula_sum '[Cu4 H2 Cl12]'
_cell_volume [452.4847]
_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  0.0975  0.7167  0.2412  1
  Cu  Cu1  2  0.4472  0.0199  0.7381  1
  H  H2  2  0.1661  0.6522  0.7468  1
  Cl  Cl3  2  0.0036  0.4083  0.3315  1
  Cl  Cl4  2  0.1417  0.2449  0.8989  1
  Cl  Cl5  2  0.1895  0.0699  0.6083  1
  Cl  Cl6  2  0.2737  0.9973  0.1390  1
  Cl  Cl7  2  0.3486  0.7165  0.8298  1
  Cl  Cl8  2  0.3862  0.7055  0.3597  1
]