data_[Cr10N9]
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 [P1]
_cell_length_a [5.4758]
_cell_length_b [6.5181]
_cell_length_c [19.9427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.5190]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr10N9]
_chemical_formula_sum '[Cr10 N9]'
_cell_volume [705.6832]
_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  1  0.0141  0.5070  0.4101  1
  Cr  Cr1  1  0.0454  0.2880  0.5776  1
  Cr  Cr2  1  0.1381  0.1695  0.3751  1
  Cr  Cr3  1  0.1804  0.8873  0.4551  1
  Cr  Cr4  1  0.3907  0.2993  0.4766  1
  Cr  Cr5  1  0.4856  0.9847  0.5495  1
  Cr  Cr6  1  0.5571  0.4961  0.6022  1
  Cr  Cr7  1  0.6402  0.7334  0.4448  1
  Cr  Cr8  1  0.8115  0.1814  0.4691  1
  Cr  Cr9  1  0.9454  0.6306  0.5422  1
  N  N10  1  0.0773  0.4126  0.4953  1
  N  N11  1  0.1780  0.8254  0.5501  1
  N  N12  1  0.3104  0.7113  0.4045  1
  N  N13  1  0.3713  0.2386  0.5844  1
  N  N14  1  0.6190  0.7058  0.5383  1
  N  N15  1  0.6633  0.4091  0.4277  1
  N  N16  1  0.8143  0.0883  0.5595  1
  N  N17  1  0.8754  0.4656  0.6229  1
  N  N18  1  0.8825  0.9660  0.4150  1
]