data_[Cs2Hg2Cl2]
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 [Pm]
_cell_length_a [4.8627]
_cell_length_b [4.5047]
_cell_length_c [11.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsHgCl]
_chemical_formula_sum '[Cs2 Hg2 Cl2]'
_cell_volume [253.9337]
_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  1  0.1290  0.5000  0.8712  1.0
  Cs  Cs1  1  0.7125  0.5000  0.2215  1.0
  Hg  Hg2  1  0.1291  0.0000  0.4872  1.0
  Hg  Hg3  1  0.6296  0.5000  0.5603  1.0
  Cl  Cl4  1  0.1908  0.0000  0.1296  1.0
  Cl  Cl5  1  0.6064  0.0000  0.7856  1.0
]