data_[Zn6Ni2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.1674]
_cell_length_b [3.2971]
_cell_length_c [10.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Zn3NiN3]
_chemical_formula_sum '[Zn6 Ni2 N6]'
_cell_volume [666.8376]
_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  4  0.1087  0.2281  0.7655  1
  Zn  Zn1  2  0.0000  0.0000  0.6160  1
  Ni  Ni2  2  0.0000  0.0000  0.3858  1
  N  N3  4  0.0681  0.7283  0.7478  1
  N  N4  2  0.0000  0.0000  0.9803  1
]