data_[Cr12N24]
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 [P6_3/mmc]
_cell_length_a [10.5869]
_cell_length_b [10.5869]
_cell_length_c [11.0429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [CrN2]
_chemical_formula_sum '[Cr12 N24]'
_cell_volume [1071.8876]
_cell_formula_units_Z [12]
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  12  0.1391  0.5696  0.1050  1
  N  N1  12  0.2431  0.4863  0.0845  1
  N  N2  6  0.0000  0.5000  0.0000  1
  N  N3  6  0.0660  0.5330  0.2500  1
]