data_[Co12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [21.9678]
_cell_length_b [4.7993]
_cell_length_c [5.7031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CoN]
_chemical_formula_sum '[Co12 N12]'
_cell_volume [601.2752]
_cell_formula_units_Z [12]
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
[
  Co  Co0  2  0.3943  0.1028  0.9616  1
  Co  Co1  2  0.3965  0.4021  0.5828  1
  Co  Co2  2  0.5006  0.4697  0.8043  1
  Co  Co3  2  0.5093  0.0380  0.1067  1
  Co  Co4  2  0.5991  0.4014  0.0444  1
  Co  Co5  2  0.6057  0.1018  0.4232  1
  N  N6  2  0.3401  0.3037  0.1681  1
  N  N7  2  0.3512  0.2032  0.3607  1
  N  N8  2  0.4568  0.3249  0.0608  1
  N  N9  2  0.5410  0.3103  0.5281  1
  N  N10  2  0.6484  0.2093  0.8252  1
  N  N11  2  0.6572  0.3129  0.6330  1
]