data_[In4Hg16Pb4]
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 [3.5899]
_cell_length_b [16.2024]
_cell_length_c [11.2774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InHg4Pb]
_chemical_formula_sum '[In4 Hg16 Pb4]'
_cell_volume [655.9549]
_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  0.0000  0.3582  0.2646  1
  Hg  Hg1  4  0.0000  0.0255  0.2683  1
  Hg  Hg2  4  0.0000  0.1241  0.5191  1
  Hg  Hg3  4  0.0000  0.3102  0.7712  1
  Hg  Hg4  4  0.0000  0.4652  0.5179  1
  Pb  Pb5  4  0.0000  0.2067  0.0199  1
]