data_[In4Sn12Pb28]
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 [Cmcm]
_cell_length_a [3.3207]
_cell_length_b [44.2915]
_cell_length_c [10.1563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [InSn3Pb7]
_chemical_formula_sum '[In4 Sn12 Pb28]'
_cell_volume [1493.7878]
_cell_formula_units_Z [4]
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  0.0911  0.2500  1
  Sn  Sn1  8  0.0000  0.0927  0.5876  1
  Sn  Sn2  4  0.0000  0.2767  0.2500  1
  Pb  Pb3  8  0.0000  0.2779  0.5808  1
  Pb  Pb4  8  0.0000  0.3540  0.5826  1
  Pb  Pb5  8  0.0000  0.4648  0.5809  1
  Pb  Pb6  4  0.0000  0.4677  0.2500  1
]