data_[Cr16N12]
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 [Aem2]
_cell_length_a [21.2375]
_cell_length_b [2.8914]
_cell_length_c [14.9070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [39]
_chemical_formula_structural [Cr4N3]
_chemical_formula_sum '[Cr16 N12]'
_cell_volume [915.3891]
_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  0.3531  0.2500  0.8393  1
  Cr  Cr1  4  0.4487  0.2500  0.2945  1
  Cr  Cr2  4  0.4490  0.2500  0.4779  1
  Cr  Cr3  4  0.4531  0.2500  0.6449  1
  N  N4  4  0.3810  0.2500  0.4024  1
  N  N5  4  0.3994  0.2500  0.7373  1
  N  N6  4  0.4432  0.2500  0.0565  1
]