data_[Cs4Hg2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8673]
_cell_length_b [7.6081]
_cell_length_c [9.8551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2HgCl4]
_chemical_formula_sum '[Cs4 Hg2 Cl8]'
_cell_volume [558.3108]
_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
[
  Cs  Cs0  2  0.2211  0.7500  0.4297  1.0
  Cs  Cs1  2  0.2889  0.7500  0.9503  1.0
  Hg  Hg2  2  0.2723  0.2500  0.2045  1.0
  Cl  Cl3  4  0.4965  0.5041  0.2654  1.0
  Cl  Cl4  2  0.0778  0.2500  0.3639  1.0
  Cl  Cl5  2  0.1028  0.2500  0.9383  1.0
]