data_[Hg4Bi4I4]
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 [Cm]
_cell_length_a [13.9426]
_cell_length_b [4.5086]
_cell_length_c [7.9733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgBiI]
_chemical_formula_sum '[Hg4 Bi4 I4]'
_cell_volume [458.3172]
_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  2  0.1872  0.0000  0.8089  1.0
  Hg  Hg1  2  0.4253  0.5000  0.0963  1.0
  Bi  Bi2  2  0.1720  0.0000  0.1526  1.0
  Bi  Bi3  2  0.3269  0.5000  0.3489  1.0
  I  I4  2  0.1212  0.5000  0.5255  1.0
  I  I5  2  0.4193  0.0000  0.8167  1.0
]