data_[Cr6N12]
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 [Cm]
_cell_length_a [4.9811]
_cell_length_b [9.8049]
_cell_length_c [19.9552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrN2]
_chemical_formula_sum '[Cr6 N12]'
_cell_volume [974.6075]
_cell_formula_units_Z [6]
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  0.3290  0.2348  0.5464  1
  Cr  Cr1  2  0.3292  0.5000  0.5465  1
  N  N2  4  0.0605  0.1449  0.5077  1
  N  N3  4  0.0976  0.3551  0.5852  1
  N  N4  2  0.2100  0.5000  0.3369  1
  N  N5  2  0.4865  0.0000  0.3379  1
]