data_[Zn8C16N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.2019]
_cell_length_b [17.2381]
_cell_length_c [8.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Zn(CN)2]
_chemical_formula_sum '[Zn8 C16 N16]'
_cell_volume [929.6090]
_cell_formula_units_Z [8]
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  0.2080  0.3804  0.9966  1
  Zn  Zn1  4  0.2909  0.9130  0.4958  1
  C  C2  4  0.0553  0.4048  0.8023  1
  C  C3  4  0.0731  0.0040  0.0087  1
  C  C4  4  0.2298  0.2658  0.0062  1
  C  C5  4  0.4620  0.0890  0.8043  1
  N  N6  4  0.0484  0.4049  0.1862  1
  N  N7  4  0.2064  0.1987  0.0069  1
  N  N8  4  0.4567  0.4509  0.0091  1
  N  N9  4  0.4694  0.0879  0.1839  1
]