data_[In9Hg18Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8202]
_cell_length_b [4.8202]
_cell_length_c [46.8818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In3(Hg3Pb)2]
_chemical_formula_sum '[In9 Hg18 Pb6]'
_cell_volume [943.3301]
_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  6  0.0000  0.0000  0.2727  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  6  0.0000  0.0000  0.0879  1.0
  Hg  Hg3  6  0.0000  0.0000  0.1801  1.0
  Hg  Hg4  6  0.0000  0.0000  0.3636  1.0
  Pb  Pb5  6  0.0000  0.0000  0.4544  1.0
]