data_[Hf6H4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0780]
_cell_length_b [3.2513]
_cell_length_c [10.2462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3H2Pb]
_chemical_formula_sum '[Hf6 H4 Pb2]'
_cell_volume [201.1172]
_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  0.0352  0.7500  0.8650  1
  Hf  Hf1  2  0.2329  0.7500  0.3871  1
  Hf  Hf2  2  0.3933  0.7500  0.1164  1
  H  H3  2  0.0815  0.2500  0.3302  1
  H  H4  2  0.3977  0.7500  0.9193  1
  Pb  Pb5  2  0.2821  0.2500  0.6444  1
]