data_[Cr64Co32N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.5348]
_cell_length_b [10.5348]
_cell_length_c [10.5348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Cr4Co2N]
_chemical_formula_sum '[Cr64 Co32 N16]'
_cell_volume [1169.1859]
_cell_formula_units_Z [16]
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  48  0.0000  0.0000  0.1908  1
  Cr  Cr1  16  0.1250  0.1250  0.6250  1
  Co  Co2  32  0.0839  0.0839  0.4161  1
  N  N3  16  0.1250  0.1250  0.1250  1
]