data_[Cr4N8]
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 [Pcc2]
_cell_length_a [4.4230]
_cell_length_b [19.2166]
_cell_length_c [4.9360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [27]
_chemical_formula_structural [CrN2]
_chemical_formula_sum '[Cr4 N8]'
_cell_volume [419.5366]
_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
[
  Cr  Cr0  4  0.1871  0.4349  0.5168  1
  N  N1  4  0.1262  0.3903  0.8090  1
  N  N2  2  0.0000  0.5000  0.2364  1
  N  N3  2  0.5000  0.5000  0.4955  1
]