data_[In6Pb6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.3994]
_cell_length_b [10.0397]
_cell_length_c [6.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [InPb]
_chemical_formula_sum '[In6 Pb6]'
_cell_volume [359.1905]
_cell_formula_units_Z [6]
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  4  0.0000  0.1592  0.3326  1.0
  In  In1  2  0.0000  0.5000  0.0868  1.0
  Pb  Pb2  4  0.0000  0.1699  0.8276  1.0
  Pb  Pb3  2  0.0000  0.5000  0.5908  1.0
]