data_[Co12N8]
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 [Aem2]
_cell_length_a [18.6270]
_cell_length_b [5.6124]
_cell_length_c [8.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [39]
_chemical_formula_structural [Co3N2]
_chemical_formula_sum '[Co12 N8]'
_cell_volume [854.5171]
_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
[
  Co  Co0  8  0.4355  0.0246  0.0333  1
  Co  Co1  4  0.4697  0.2500  0.7546  1
  N  N2  4  0.4026  0.2500  0.5974  1
  N  N3  4  0.5000  0.0000  0.3765  1
]