data_[Hf10Ti6Pb6]
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 [Cm]
_cell_length_a [8.3729]
_cell_length_b [19.3520]
_cell_length_c [3.1926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hf5(TiPb)3]
_chemical_formula_sum '[Hf10 Ti6 Pb6]'
_cell_volume [491.9776]
_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  4  0.0516  0.3637  0.6672  1
  Hf  Hf1  4  0.2085  0.1329  0.9325  1
  Hf  Hf2  2  0.1482  0.5000  0.3123  1
  Ti  Ti3  4  0.3768  0.3960  0.2631  1
  Ti  Ti4  2  0.0068  0.0000  0.8851  1
  Pb  Pb5  4  0.3724  0.2668  0.7565  1
  Pb  Pb6  2  0.3247  0.0000  0.5577  1
]