data_[In20Bi2Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0157]
_cell_length_b [10.0157]
_cell_length_c [9.6950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [In10BiPb4]
_chemical_formula_sum '[In20 Bi2 Pb8]'
_cell_volume [972.5567]
_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  16  0.1029  0.2127  0.2185  1
  In  In1  4  0.0000  0.5000  0.2500  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  Pb  Pb3  8  0.0776  0.7524  0.5000  1
]