data_[Cr4Pb2C1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.1539]
_cell_length_b [3.1539]
_cell_length_c [12.7931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cr4Pb2CN]
_chemical_formula_sum '[Cr4 Pb2 C1 N1]'
_cell_volume [110.2087]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.0693  1
  Cr  Cr1  2  0.3333  0.6667  0.4333  1
  Pb  Pb2  2  0.3333  0.6667  0.7493  1
  C  C3  1  0.0000  0.0000  0.0000  1
  N  N4  1  0.0000  0.0000  0.5000  1
]