data_[In2Hg6Pb12]
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 [P2_1/m]
_cell_length_a [10.3159]
_cell_length_b [5.3492]
_cell_length_c [11.4384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In(HgPb2)3]
_chemical_formula_sum '[In2 Hg6 Pb12]'
_cell_volume [614.0571]
_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  2  0.3114  0.2500  0.3320  1.0
  Hg  Hg1  2  0.1660  0.2500  0.6844  1.0
  Hg  Hg2  2  0.1741  0.7500  0.8875  1.0
  Hg  Hg3  2  0.4684  0.7500  0.8024  1.0
  Pb  Pb4  2  0.0263  0.2500  0.3971  1.0
  Pb  Pb5  2  0.1114  0.7500  0.2245  1.0
  Pb  Pb6  2  0.1291  0.2500  0.0460  1.0
  Pb  Pb7  2  0.2618  0.7500  0.5195  1.0
  Pb  Pb8  2  0.3947  0.2500  0.9199  1.0
  Pb  Pb9  2  0.4737  0.2500  0.6244  1.0
]