data_[Hg8Bi4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4057]
_cell_length_b [4.9286]
_cell_length_c [12.2426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2BiI2]
_chemical_formula_sum '[Hg8 Bi4 I8]'
_cell_volume [831.4538]
_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  0.0321  0.0000  0.6990  1
  Hg  Hg1  4  0.0725  0.0000  0.1766  1
  Bi  Bi2  4  0.1537  0.5000  0.7766  1
  I  I3  4  0.1359  0.5000  0.5178  1
  I  I4  4  0.1667  0.5000  0.0443  1
]