data_[Zn4Cr4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.5457]
_cell_length_b [6.3745]
_cell_length_c [5.2326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [ZnCrN2]
_chemical_formula_sum '[Zn4 Cr4 N8]'
_cell_volume [184.9816]
_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  0.0889  0.6211  0.0018  1.0
  Cr  Cr1  4  0.0750  0.1269  0.9984  1.0
  N  N2  4  0.0658  0.1112  0.3557  1.0
  N  N3  4  0.1031  0.6401  0.3941  1.0
]