data_[Zr16Zn2N8]
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 [I4/m]
_cell_length_a [11.3774]
_cell_length_b [11.3774]
_cell_length_c [3.3068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Zr8ZnN4]
_chemical_formula_sum '[Zr16 Zn2 N8]'
_cell_volume [428.0546]
_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  8  0.0411  0.6599  0.5000  1
  Zr  Zr1  8  0.1454  0.1821  0.0000  1
  Zn  Zn2  2  0.0000  0.0000  0.5000  1
  N  N3  8  0.1547  0.3177  0.5000  1
]