data_[Co4B4Pb6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6399]
_cell_length_b [3.6399]
_cell_length_c [21.6721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Co2B2(PbN)3]
_chemical_formula_sum '[Co4 B4 Pb6 N6]'
_cell_volume [287.1354]
_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  4  0.0000  0.5000  0.2500  1
  B  B1  4  0.0000  0.0000  0.2019  1
  Pb  Pb2  4  0.0000  0.0000  0.3764  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.0000  0.0000  0.1363  1
  N  N5  2  0.0000  0.0000  0.5000  1
]