data_[Hg4Bi4Cl4]
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 [C2/m]
_cell_length_a [17.6799]
_cell_length_b [5.4566]
_cell_length_c [4.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgBiCl]
_chemical_formula_sum '[Hg4 Bi4 Cl4]'
_cell_volume [426.5163]
_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  4  0.2145  0.5000  0.8634  1.0
  Bi  Bi1  4  0.0636  0.5000  0.2900  1.0
  Cl  Cl2  4  0.0905  0.0000  0.3090  1.0
]