data_[In4Hg4Pb16]
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 [5.3654]
_cell_length_b [22.2931]
_cell_length_c [6.6329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InHgPb4]
_chemical_formula_sum '[In4 Hg4 Pb16]'
_cell_volume [793.3766]
_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  0.1360  0.7697  1
  Hg  Hg1  4  0.0000  0.4321  0.5866  1
  Pb  Pb2  4  0.0000  0.1237  0.2780  1
  Pb  Pb3  4  0.0000  0.2913  0.9164  1
  Pb  Pb4  4  0.0000  0.2924  0.4206  1
  Pb  Pb5  4  0.0000  0.4311  0.0952  1
]