data_[In4Hg12Pb4]
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 [20.1171]
_cell_length_b [3.6823]
_cell_length_c [7.6456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InHg3Pb]
_chemical_formula_sum '[In4 Hg12 Pb4]'
_cell_volume [554.3645]
_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  4  0.1907  0.0000  0.8720  1.0
  Hg  Hg1  4  0.0094  0.0000  0.7575  1.0
  Hg  Hg2  4  0.0967  0.5000  0.0732  1.0
  Hg  Hg3  4  0.2128  0.0000  0.3356  1.0
  Pb  Pb4  4  0.1030  0.5000  0.5246  1.0
]