data_[Zn1Cu3H6Cl2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [P-3m1]
_cell_length_a [6.2798]
_cell_length_b [6.2798]
_cell_length_c [5.6089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [ZnCu3H6(ClO3)2]
_chemical_formula_sum '[Zn1 Cu3 H6 Cl2 O6]'
_cell_volume [191.5602]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  1  0.0000  0.0000  0.5000  1
  Cu  Cu1  3  0.0000  0.5000  0.5000  1
  H  H2  6  0.1999  0.3998  0.8291  1
  Cl  Cl3  2  0.3333  0.6667  0.1226  1
  O  O4  6  0.1777  0.3554  0.6575  1
]