data_[Cu8N20Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5405]
_cell_length_b [6.5405]
_cell_length_c [26.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Cu2N5Cl8]
_chemical_formula_sum '[Cu8 N20 Cl32]'
_cell_volume [1139.7564]
_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
[
  Cu  Cu0  4  0.0000  0.0000  0.0000  1
  Cu  Cu1  4  0.0000  0.5000  0.2500  1
  N  N2  16  0.1957  0.3043  0.1247  1
  N  N3  4  0.0000  0.0000  0.2500  1
  Cl  Cl4  16  0.1938  0.3062  0.8130  1
  Cl  Cl5  8  0.0000  0.0000  0.1102  1
  Cl  Cl6  8  0.2478  0.7478  0.5000  1
]