data_[In8Hg16Pb6]
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 [C2/m]
_cell_length_a [12.5851]
_cell_length_b [12.3151]
_cell_length_c [7.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In4Hg8Pb3]
_chemical_formula_sum '[In8 Hg16 Pb6]'
_cell_volume [912.5725]
_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  4  0.2500  0.2500  0.5000  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.2447  0.5000  1.0
  Hg  Hg4  4  0.0000  0.2539  0.0000  1.0
  Hg  Hg5  4  0.2417  0.5000  0.4709  1.0
  Hg  Hg6  4  0.2419  0.5000  0.0081  1.0
  Pb  Pb7  4  0.2500  0.2500  0.0000  1.0
  Pb  Pb8  2  0.0000  0.5000  0.5000  1.0
]