data_[Hf4Ti14Nb2Pb4]
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
  Nb  1.6000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8803]
_cell_length_b [3.8803]
_cell_length_c [31.5946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Hf2Ti7NbPb2]
_chemical_formula_sum '[Hf4 Ti14 Nb2 Pb4]'
_cell_volume [475.7026]
_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  0.0000  0.0000  0.3228  1
  Ti  Ti1  8  0.0000  0.5000  0.0701  1
  Ti  Ti2  4  0.0000  0.0000  0.2314  1
  Ti  Ti3  2  0.0000  0.0000  0.5000  1
  Nb  Nb4  2  0.0000  0.0000  0.0000  1
  Pb  Pb5  4  0.0000  0.0000  0.1394  1
]