data_[Hf16Si4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8142]
_cell_length_b [12.4355]
_cell_length_c [5.5361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4SiPb]
_chemical_formula_sum '[Hf16 Si4 Pb4]'
_cell_volume [504.7628]
_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  8  0.0954  0.1834  0.0543  1.0
  Hf  Hf1  8  0.2108  0.4029  0.3591  1.0
  Si  Si2  4  0.0000  0.0016  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3901  0.7500  1.0
]