data_[Hf16Ir4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1022]
_cell_length_b [12.3795]
_cell_length_c [5.5747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4IrPb]
_chemical_formula_sum '[Hf16 Ir4 Pb4]'
_cell_volume [525.0620]
_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  0.1059  0.1843  0.5633  1
  Hf  Hf1  8  0.2205  0.4108  0.8525  1
  Ir  Ir2  4  0.0000  0.0022  0.2500  1
  Pb  Pb3  4  0.0000  0.3864  0.2500  1
]