data_[Cs2Zn2Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6920]
_cell_length_b [8.5906]
_cell_length_c [9.1058]
_cell_angle_alpha [100.6154]
_cell_angle_beta [101.6817]
_cell_angle_gamma [108.3119]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2Zn2HgCl6]
_chemical_formula_sum '[Cs2 Zn2 Hg1 Cl6]'
_cell_volume [469.0621]
_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  2  0.4282  0.2103  0.7552  1.0
  Zn  Zn1  2  0.1896  0.1112  0.1598  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.1701  0.8968  0.9392  1.0
  Cl  Cl4  2  0.1974  0.9873  0.3563  1.0
  Cl  Cl5  2  0.4421  0.3552  0.1668  1.0
]