data_[Hg2Bi2Cl6]
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 [P1]
_cell_length_a [7.1734]
_cell_length_b [7.3736]
_cell_length_c [7.9530]
_cell_angle_alpha [107.4302]
_cell_angle_beta [104.8197]
_cell_angle_gamma [112.8594]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgBiCl3]
_chemical_formula_sum '[Hg2 Bi2 Cl6]'
_cell_volume [335.0602]
_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  0.7051  0.6678  0.0931  1.0
  Hg  Hg1  1  0.7724  0.1437  0.7298  1.0
  Bi  Bi2  1  0.0219  0.6514  0.9173  1.0
  Bi  Bi3  1  0.2547  0.3692  0.4057  1.0
  Cl  Cl4  1  0.2170  0.1034  0.5518  1.0
  Cl  Cl5  1  0.2489  0.0908  0.0690  1.0
  Cl  Cl6  1  0.3151  0.6884  0.7319  1.0
  Cl  Cl7  1  0.3630  0.6732  0.2112  1.0
  Cl  Cl8  1  0.7590  0.6451  0.6124  1.0
  Cl  Cl9  1  0.8388  0.2147  0.2353  1.0
]