data_[Hf4Ti24Pb12]
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 [Cmc2_1]
_cell_length_a [10.0844]
_cell_length_b [11.0652]
_cell_length_c [7.5339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Hf(Ti2Pb)3]
_chemical_formula_sum '[Hf4 Ti24 Pb12]'
_cell_volume [840.6808]
_cell_formula_units_Z [4]
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  0.3365  0.0343  1
  Ti  Ti1  8  0.1480  0.4175  0.3379  1
  Ti  Ti2  8  0.2257  0.1859  0.1643  1
  Ti  Ti3  4  0.0000  0.1029  0.8642  1
  Ti  Ti4  4  0.0000  0.2216  0.3729  1
  Pb  Pb5  8  0.1852  0.0721  0.5394  1
  Pb  Pb6  4  0.0000  0.3881  0.6600  1
]