data_[Hg4Bi4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3378]
_cell_length_b [7.8831]
_cell_length_c [7.0432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgBiCl3]
_chemical_formula_sum '[Hg4 Bi4 Cl12]'
_cell_volume [736.9478]
_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  0.2554  0.5000  0.7002  1.0
  Hg  Hg1  2  0.4480  0.5000  0.9638  1.0
  Bi  Bi2  2  0.0969  0.5000  0.3400  1.0
  Bi  Bi3  2  0.3176  0.0000  0.3452  1.0
  Cl  Cl4  4  0.2000  0.2574  0.1640  1.0
  Cl  Cl5  4  0.4643  0.2256  0.4832  1.0
  Cl  Cl6  2  0.2288  0.0000  0.6433  1.0
  Cl  Cl7  2  0.4615  0.0000  0.0407  1.0
]