data_[Hf24In8Pb8]
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/c]
_cell_length_a [12.4031]
_cell_length_b [9.8259]
_cell_length_c [8.9589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3InPb]
_chemical_formula_sum '[Hf24 In8 Pb8]'
_cell_volume [912.5055]
_cell_formula_units_Z [8]
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  0.0904  0.1350  0.6606  1.0
  Hf  Hf1  8  0.1067  0.3673  0.1351  1.0
  Hf  Hf2  8  0.1958  0.3653  0.5431  1.0
  In  In3  4  0.0000  0.1450  0.2500  1.0
  In  In4  4  0.0000  0.4041  0.7500  1.0
  Pb  Pb5  8  0.2076  0.1045  0.0653  1.0
]