data_[Cs1Hg2Bi1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [6.6944]
_cell_length_b [7.1926]
_cell_length_c [9.5404]
_cell_angle_alpha [110.3521]
_cell_angle_beta [96.1241]
_cell_angle_gamma [98.9889]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHg2BiCl8]
_chemical_formula_sum '[Cs1 Hg2 Bi1 Cl8]'
_cell_volume [418.9268]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg1  2  0.4652  0.8071  0.2741  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1256  0.0368  0.7453  1.0
  Cl  Cl4  2  0.2277  0.3666  0.1754  1.0
  Cl  Cl5  2  0.3214  0.7973  0.0290  1.0
  Cl  Cl6  2  0.4466  0.2325  0.4903  1.0
]