data_[Hg3Pb3I6]
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 [R3m]
_cell_length_a [4.6460]
_cell_length_b [4.6460]
_cell_length_c [30.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HgPbI2]
_chemical_formula_sum '[Hg3 Pb3 I6]'
_cell_volume [578.7116]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5002  1.0
  Pb  Pb1  3  0.0000  0.0000  0.6666  1.0
  I  I2  3  0.0000  0.0000  0.0607  1.0
  I  I3  3  0.0000  0.0000  0.2725  1.0
]