data_[Co6N4]
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 [Pm]
_cell_length_a [6.6499]
_cell_length_b [5.3786]
_cell_length_c [16.6108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co3N2]
_chemical_formula_sum '[Co6 N4]'
_cell_volume [594.1241]
_cell_formula_units_Z [2]
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  0.2557  0.2752  0.5107  1
  Co  Co1  1  0.5690  0.5000  0.4873  1
  Co  Co2  1  0.5724  0.0000  0.4683  1
  Co  Co3  1  0.9213  0.0000  0.4924  1
  Co  Co4  1  0.9239  0.5000  0.4765  1
  N  N5  2  0.7486  0.2502  0.4750  1
  N  N6  1  0.1513  0.0000  0.5390  1
  N  N7  1  0.3885  0.5000  0.5653  1
]