data_[Cr20N8]
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 [C2/c]
_cell_length_a [12.2214]
_cell_length_b [4.5293]
_cell_length_c [4.9375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr5N2]
_chemical_formula_sum '[Cr20 N8]'
_cell_volume [271.5771]
_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  8  0.1077  0.0688  0.9058  1
  Cr  Cr1  8  0.2075  0.4213  0.2991  1
  Cr  Cr2  4  0.0000  0.4355  0.2500  1
  N  N3  8  0.1063  0.3208  0.5726  1
]