data_[In4Sn4Pb20]
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 [C2/c]
_cell_length_a [12.4388]
_cell_length_b [6.3637]
_cell_length_c [11.7726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InSnPb5]
_chemical_formula_sum '[In4 Sn4 Pb20]'
_cell_volume [908.1330]
_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  0.0000  0.0000  1.0
  Sn  Sn1  4  0.0000  0.2485  0.7500  1.0
  Pb  Pb2  8  0.1357  0.4966  0.0254  1.0
  Pb  Pb3  8  0.2344  0.0038  0.6889  1.0
  Pb  Pb4  4  0.0000  0.2529  0.2500  1.0
]