data_[In21Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3117]
_cell_length_b [6.3117]
_cell_length_c [33.8440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In7Pb6]
_chemical_formula_sum '[In21 Pb18]'
_cell_volume [1167.6417]
_cell_formula_units_Z [3]
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  18  0.0033  0.5016  0.4112  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  6  0.0000  0.0000  0.1656  1.0
  Pb  Pb3  6  0.0000  0.0000  0.3444  1.0
  Pb  Pb4  6  0.0000  0.0000  0.4519  1.0
]