data_[Zn4Ni12N4]
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 [Cmmm]
_cell_length_a [5.3310]
_cell_length_b [10.7291]
_cell_length_c [3.7124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ZnNi3N]
_chemical_formula_sum '[Zn4 Ni12 N4]'
_cell_volume [212.3377]
_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  0.0000  0.3765  0.5000  1.0
  Ni  Ni1  4  0.0000  0.1270  0.5000  1.0
  Ni  Ni2  4  0.2442  0.5000  0.0000  1.0
  Ni  Ni3  4  0.2500  0.2500  0.0000  1.0
  N  N4  4  0.0000  0.1281  0.0000  1.0
]