data_[Zn4C8N8]
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 [P4_1]
_cell_length_a [9.7706]
_cell_length_b [9.7706]
_cell_length_c [7.6990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [76]
_chemical_formula_structural [Zn(CN)2]
_chemical_formula_sum '[Zn4 C8 N8]'
_cell_volume [734.9765]
_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  0.1595  0.4923  0.2547  1
  C  C1  4  0.0329  0.5490  0.4410  1
  C  C2  4  0.2844  0.3495  0.3428  1
  N  N3  4  0.0438  0.4403  0.0563  1
  N  N4  4  0.2725  0.6390  0.1552  1
]