data_[In2Pb13]
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 [P-1]
_cell_length_a [7.8554]
_cell_length_b [7.8818]
_cell_length_c [8.6795]
_cell_angle_alpha [69.3143]
_cell_angle_beta [69.5458]
_cell_angle_gamma [83.9049]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Pb13]
_chemical_formula_sum '[In2 Pb13]'
_cell_volume [470.9528]
_cell_formula_units_Z [1]
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  2  0.1319  0.4655  0.8024  1.0
  Pb  Pb1  2  0.0640  0.7308  0.4016  1.0
  Pb  Pb2  2  0.2001  0.2047  0.1956  1.0
  Pb  Pb3  2  0.2649  0.9298  0.6005  1.0
  Pb  Pb4  2  0.3302  0.6654  0.9991  1.0
  Pb  Pb5  2  0.3997  0.4000  0.4015  1.0
  Pb  Pb6  2  0.4669  0.1354  0.7995  1.0
  Pb  Pb7  1  0.0000  0.0000  0.0000  1.0
]