data_[Cr11N8]
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 [P31m]
_cell_length_a [6.0896]
_cell_length_b [6.0896]
_cell_length_c [19.4326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cr11N8]
_chemical_formula_sum '[Cr11 N8]'
_cell_volume [624.0702]
_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  6  0.2023  0.4139  0.6162  1
  Cr  Cr1  3  0.0000  0.2292  0.5054  1
  Cr  Cr2  2  0.3333  0.6667  0.5030  1
  N  N3  6  0.1298  0.4121  0.4174  1
  N  N4  2  0.3333  0.6667  0.3881  1
]