data_[In40Pb96Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.0199]
_cell_length_b [18.0199]
_cell_length_c [18.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [In5(Pb4Cl)3]
_chemical_formula_sum '[In40 Pb96 Cl24]'
_cell_volume [5851.3834]
_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
[
  In  In0  24  0.0000  0.2500  0.3750  1
  In  In1  16  0.0000  0.0000  0.0000  1
  Pb  Pb2  96  0.0117  0.4186  0.1521  1
  Cl  Cl3  24  0.0000  0.2500  0.1250  1
]