data_[Cr11N9]
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 [P3]
_cell_length_a [7.6287]
_cell_length_b [7.6287]
_cell_length_c [18.8551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Cr11N9]
_chemical_formula_sum '[Cr11 N9]'
_cell_volume [950.3108]
_cell_formula_units_Z [1]
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  3  0.0591  0.6088  0.4702  1
  Cr  Cr1  3  0.2415  0.0022  0.4902  1
  Cr  Cr2  3  0.4249  0.2762  0.5874  1
  Cr  Cr3  1  0.3333  0.6667  0.3829  1
  Cr  Cr4  1  0.6667  0.3333  0.4869  1
  N  N5  3  0.0150  0.7967  0.5311  1
  N  N6  3  0.1464  0.4253  0.4171  1
  N  N7  3  0.4713  0.0739  0.5474  1
]