data_[In12Hg4Pb24]
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 [Cmc2_1]
_cell_length_a [9.5104]
_cell_length_b [19.4765]
_cell_length_c [6.6798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In3HgPb6]
_chemical_formula_sum '[In12 Hg4 Pb24]'
_cell_volume [1237.2922]
_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  8  0.1747  0.1232  0.0906  1.0
  In  In1  4  0.0000  0.3912  0.3580  1.0
  Hg  Hg2  4  0.0000  0.2400  0.2734  1.0
  Pb  Pb3  8  0.1815  0.4658  0.9618  1.0
  Pb  Pb4  8  0.2021  0.8109  0.1256  1.0
  Pb  Pb5  4  0.0000  0.0328  0.6970  1.0
  Pb  Pb6  4  0.0000  0.3220  0.8303  1.0
]