data_[Hf16In2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7580]
_cell_length_b [13.6591]
_cell_length_c [5.4020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8InPb2]
_chemical_formula_sum '[Hf16 In2 Pb4]'
_cell_volume [517.7634]
_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  8  0.2068  0.8915  0.1647  1
  Hf  Hf1  4  0.0000  0.2198  0.5000  1
  Hf  Hf2  4  0.0855  0.5000  0.2982  1
  In  In3  2  0.0000  0.0000  0.5000  1
  Pb  Pb4  4  0.0000  0.3045  0.0000  1
]