data_[Zn4Cu4C2N2Cl14]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.3141]
_cell_length_b [6.6781]
_cell_length_c [16.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Zn2Cu2CNCl7]
_chemical_formula_sum '[Zn4 Cu4 C2 N2 Cl14]'
_cell_volume [655.3699]
_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
[
  Zn  Zn0  2  0.1319  0.3077  0.0861  1
  Zn  Zn1  2  0.7754  0.1622  0.2171  1
  Cu  Cu2  2  0.0292  0.1788  0.4582  1
  Cu  Cu3  2  0.6349  0.3067  0.5870  1
  C  C4  2  0.3821  0.3125  0.8762  1
  N  N5  2  0.2617  0.3393  0.8043  1
  Cl  Cl6  2  0.1300  0.1779  0.2101  1
  Cl  Cl7  2  0.3825  0.2053  0.4641  1
  Cl  Cl8  2  0.5156  0.3394  0.0980  1
  Cl  Cl9  2  0.6586  0.1584  0.7093  1
  Cl  Cl10  2  0.7788  0.3188  0.3371  1
  Cl  Cl11  2  0.9348  0.1500  0.9622  1
  Cl  Cl12  2  0.9914  0.3582  0.5757  1
]