data_[Hf2Ti8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3544]
_cell_length_b [5.7995]
_cell_length_c [7.6147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf(Ti2Pb)2]
_chemical_formula_sum '[Hf2 Ti8 Pb4]'
_cell_volume [288.2369]
_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  0.0848  0.7500  0.3485  1
  Ti  Ti1  4  0.3539  0.5064  0.7766  1
  Ti  Ti2  2  0.2340  0.2500  0.0743  1
  Ti  Ti3  2  0.4881  0.2500  0.4864  1
  Pb  Pb4  2  0.0741  0.2500  0.3716  1
  Pb  Pb5  2  0.2620  0.7500  0.0766  1
]