data_[In2Hg12Pb2]
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 [Amm2]
_cell_length_a [4.9993]
_cell_length_b [7.0998]
_cell_length_c [12.1983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InHg6Pb]
_chemical_formula_sum '[In2 Hg12 Pb2]'
_cell_volume [432.9649]
_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  0.0000  0.0000  0.1165  1
  Hg  Hg1  4  0.0000  0.2176  0.8360  1
  Hg  Hg2  4  0.5000  0.2220  0.6617  1
  Hg  Hg3  2  0.0000  0.0000  0.5589  1
  Hg  Hg4  2  0.5000  0.0000  0.9448  1
  Pb  Pb5  2  0.5000  0.0000  0.3843  1
]