data_[Hf8H8Pb8]
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 [C2/m]
_cell_length_a [22.0282]
_cell_length_b [3.2228]
_cell_length_c [6.2840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfHPb]
_chemical_formula_sum '[Hf8 H8 Pb8]'
_cell_volume [445.9639]
_cell_formula_units_Z [8]
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  4  0.1913  0.5000  0.3669  1
  Hf  Hf1  4  0.1914  0.5000  0.8727  1
  H  H2  4  0.2480  0.0000  0.8727  1
  H  H3  4  0.2491  0.0000  0.3768  1
  Pb  Pb4  4  0.0684  0.5000  0.1149  1
  Pb  Pb5  4  0.0825  0.0000  0.6111  1
]