data_[Cr6N11]
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 [6.4694]
_cell_length_b [6.4694]
_cell_length_c [18.8218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cr6N11]
_chemical_formula_sum '[Cr6 N11]'
_cell_volume [682.2109]
_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  0.0000  0.2773  0.4132  1
  Cr  Cr1  2  0.3333  0.6667  0.3557  1
  Cr  Cr2  1  0.0000  0.0000  0.5328  1
  N  N3  6  0.2065  0.4315  0.5587  1
  N  N4  3  0.0000  0.3242  0.5179  1
  N  N5  2  0.3333  0.6667  0.5552  1
]