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 [Pmmn]
_cell_length_a [3.4598]
_cell_length_b [13.3537]
_cell_length_c [7.9922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [InPb]
_chemical_formula_sum '[In6 Pb6]'
_cell_volume [369.2451]
_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  0.2298  0.6610  1.0
  In  In1  2  0.0000  0.0000  0.7253  1.0
  Pb  Pb2  4  0.0000  0.1377  0.0584  1.0
  Pb  Pb3  2  0.0000  0.5000  0.6349  1.0
]