data_[Hf6Pb2N2]
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 [P2_1/m]
_cell_length_a [7.9065]
_cell_length_b [3.2550]
_cell_length_c [8.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3PbN]
_chemical_formula_sum '[Hf6 Pb2 N2]'
_cell_volume [193.5373]
_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  2  0.0009  0.7500  0.3483  1.0
  Hf  Hf1  2  0.3197  0.7500  0.9424  1.0
  Hf  Hf2  2  0.3785  0.2500  0.6344  1.0
  Pb  Pb3  2  0.2379  0.2500  0.2169  1.0
  N  N4  2  0.1898  0.7500  0.6411  1.0
]