data_[Zn4Cu4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.8657]
_cell_length_b [3.2284]
_cell_length_c [5.8918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZnCuCl]
_chemical_formula_sum '[Zn4 Cu4 Cl4]'
_cell_volume [206.6812]
_cell_formula_units_Z [4]
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  4  0.3456  0.0000  0.7311  1
  Cu  Cu1  2  0.0000  0.0000  0.4667  1
  Cu  Cu2  2  0.5000  0.0000  0.4087  1
  Cl  Cl3  4  0.1513  0.0000  0.1645  1
]