data_[Zn8N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.2065]
_cell_length_b [7.6471]
_cell_length_c [6.0988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [Zn2NCl]
_chemical_formula_sum '[Zn8 N4 Cl4]'
_cell_volume [289.4594]
_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  0.0007  0.5041  0.8503  1.0
  Zn  Zn1  4  0.1075  0.8339  0.1192  1.0
  N  N2  4  0.0807  0.3717  0.6026  1.0
  Cl  Cl3  4  0.0845  0.8940  0.5720  1.0
]