data_[Cu2H8Cl4O4]
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 [Pmna]
_cell_length_a [8.0612]
_cell_length_b [3.8968]
_cell_length_c [7.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [CuH4(ClO)2]
_chemical_formula_sum '[Cu2 H8 Cl4 O4]'
_cell_volume [234.3087]
_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  8  0.1882  0.1275  0.4142  1
  Cl  Cl2  4  0.0000  0.3512  0.2465  1
  O  O3  4  0.2412  0.0000  0.0000  1
]