data_[Hg4Pb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5804]
_cell_length_b [11.7444]
_cell_length_c [7.9319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgPbI4]
_chemical_formula_sum '[Hg4 Pb4 I16]'
_cell_volume [1215.1337]
_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
[
  Hg  Hg0  4  0.0000  0.2581  0.7500  1.0
  Pb  Pb1  4  0.0000  0.3806  0.2500  1.0
  I  I2  8  0.1017  0.1733  0.5202  1.0
  I  I3  8  0.1485  0.4219  0.9887  1.0
]