data_[Zr2Zn8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5848]
_cell_length_b [5.6503]
_cell_length_c [8.3071]
_cell_angle_alpha [75.6408]
_cell_angle_beta [76.4194]
_cell_angle_gamma [65.2135]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr(ZnN)4]
_chemical_formula_sum '[Zr2 Zn8 N8]'
_cell_volume [227.9874]
_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
[
  Zr  Zr0  2  0.2330  0.4507  0.8090  1.0
  Zn  Zn1  2  0.1998  0.8163  0.0684  1.0
  Zn  Zn2  2  0.2321  0.9791  0.5541  1.0
  Zn  Zn3  2  0.2678  0.4810  0.4441  1.0
  Zn  Zn4  2  0.3325  0.1584  0.2128  1.0
  N  N5  2  0.0393  0.7267  0.6032  1.0
  N  N6  2  0.1033  0.2077  0.0334  1.0
  N  N7  2  0.4025  0.1520  0.6510  1.0
  N  N8  2  0.4155  0.4887  0.2013  1.0
]