data_[In8Sn2Pb12]
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 [I-42m]
_cell_length_a [6.5073]
_cell_length_b [6.5073]
_cell_length_c [16.4037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [In4SnPb6]
_chemical_formula_sum '[In8 Sn2 Pb12]'
_cell_volume [694.6129]
_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  8  0.2003  0.7997  0.6629  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  8  0.1914  0.1914  0.1459  1
  Pb  Pb3  4  0.0000  0.5000  0.0000  1
]