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 [9.3667]
_cell_length_b [19.6856]
_cell_length_c [6.5635]
_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 [1210.2337]
_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  0.1787  0.8753  0.5948  1
  In  In1  4  0.0000  0.3917  0.3574  1
  Hg  Hg2  4  0.0000  0.2401  0.2663  1
  Pb  Pb3  8  0.1831  0.4667  0.9548  1
  Pb  Pb4  8  0.1977  0.8122  0.1341  1
  Pb  Pb5  4  0.0000  0.0316  0.7057  1
  Pb  Pb6  4  0.0000  0.3211  0.8178  1
]