data_[Hg2Bi2I2]
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 [P1]
_cell_length_a [5.0665]
_cell_length_b [5.1081]
_cell_length_c [9.9837]
_cell_angle_alpha [100.8115]
_cell_angle_beta [93.1708]
_cell_angle_gamma [96.9194]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgBiI]
_chemical_formula_sum '[Hg2 Bi2 I2]'
_cell_volume [251.1400]
_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  1  0.0926  0.7235  0.0745  1.0
  Hg  Hg1  1  0.4850  0.5196  0.8058  1.0
  Bi  Bi2  1  0.1876  0.9909  0.6982  1.0
  Bi  Bi3  1  0.8084  0.0402  0.9310  1.0
  I  I4  1  0.4311  0.4797  0.2216  1.0
  I  I5  1  0.8421  0.2293  0.5200  1.0
]