data_[In4Hg8Pb16]
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 [Cm]
_cell_length_a [23.2187]
_cell_length_b [5.2362]
_cell_length_c [6.7588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In(HgPb2)2]
_chemical_formula_sum '[In4 Hg8 Pb16]'
_cell_volume [818.4241]
_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  2  0.0369  0.5000  0.5166  1
  In  In1  2  0.4670  0.5000  0.2233  1
  Hg  Hg2  2  0.0348  0.5000  0.0202  1
  Hg  Hg3  2  0.2516  0.0000  0.3235  1
  Hg  Hg4  2  0.2545  0.0000  0.8243  1
  Hg  Hg5  2  0.3216  0.5000  0.6566  1
  Pb  Pb6  2  0.1086  0.0000  0.2817  1
  Pb  Pb7  2  0.1110  0.0000  0.7797  1
  Pb  Pb8  2  0.1767  0.5000  0.0497  1
  Pb  Pb9  2  0.1820  0.5000  0.5508  1
  Pb  Pb10  2  0.3218  0.5000  0.1585  1
  Pb  Pb11  2  0.3934  0.0000  0.4446  1
  Pb  Pb12  2  0.3942  0.0000  0.9474  1
  Pb  Pb13  2  0.4656  0.5000  0.7228  1
]