data_[Cr32N64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [10.9193]
_cell_length_b [10.9193]
_cell_length_c [22.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [CrN2]
_chemical_formula_sum '[Cr32 N64]'
_cell_volume [2708.1954]
_cell_formula_units_Z [32]
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
[
  Cr  Cr0  32  0.1504  0.1572  0.4288  1
  N  N1  16  0.0000  0.1515  0.5738  1
  N  N2  16  0.0000  0.2031  0.4184  1
  N  N3  16  0.1958  0.1958  0.5000  1
  N  N4  16  0.2097  0.2500  0.6250  1
]