data_[Hg2Bi2I6]
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 [P2_1/m]
_cell_length_a [6.3440]
_cell_length_b [8.8400]
_cell_length_c [8.8897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HgBiI3]
_chemical_formula_sum '[Hg2 Bi2 I6]'
_cell_volume [498.5386]
_cell_formula_units_Z [2]
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  2  0.4966  0.7500  0.5184  1.0
  Bi  Bi1  2  0.0406  0.7500  0.9995  1.0
  I  I2  4  0.0112  0.5031  0.7514  1.0
  I  I3  2  0.4964  0.7500  0.0307  1.0
]