data_[Hf16Pb2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8318]
_cell_length_b [6.4536]
_cell_length_c [5.7850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8PbN2]
_chemical_formula_sum '[Hf16 Pb2 N4]'
_cell_volume [473.2004]
_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
[
  Hf  Hf0  8  0.0992  0.2647  0.6909  1
  Hf  Hf1  4  0.1519  0.5000  0.2172  1
  Hf  Hf2  4  0.1971  0.0000  0.2984  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.1874  0.0000  0.6521  1
]