data_[In2Sn6Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3907]
_cell_length_b [4.6780]
_cell_length_c [11.4174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In(SnPb2)3]
_chemical_formula_sum '[In2 Sn6 Pb12]'
_cell_volume [608.3063]
_cell_formula_units_Z [2]
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  0.3010  0.2500  0.8493  1.0
  Sn  Sn1  2  0.0003  0.2500  0.7432  1.0
  Sn  Sn2  2  0.0946  0.2500  0.4487  1.0
  Sn  Sn3  2  0.4965  0.7500  0.7500  1.0
  Pb  Pb4  2  0.0984  0.7500  0.9522  1.0
  Pb  Pb5  2  0.1945  0.7500  0.6547  1.0
  Pb  Pb6  2  0.2014  0.2500  0.1535  1.0
  Pb  Pb7  2  0.2947  0.7500  0.3522  1.0
  Pb  Pb8  2  0.4022  0.2500  0.5520  1.0
  Pb  Pb9  2  0.4024  0.7500  0.0510  1.0
]