data_[In4Sn2Pb8]
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 [Pbam]
_cell_length_a [7.1343]
_cell_length_b [12.4511]
_cell_length_c [4.8538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [In2SnPb4]
_chemical_formula_sum '[In4 Sn2 Pb8]'
_cell_volume [431.1557]
_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  4  0.1181  0.6620  0.5000  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Pb  Pb2  4  0.0869  0.1953  0.0000  1
  Pb  Pb3  4  0.1874  0.9224  0.5000  1
]