data_[Cs1Hg1Pb2Cl8]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8611]
_cell_length_b [7.1392]
_cell_length_c [8.9730]
_cell_angle_alpha [91.7094]
_cell_angle_beta [90.3025]
_cell_angle_gamma [93.9376]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHg(PbCl4)2]
_chemical_formula_sum '[Cs1 Hg1 Pb2 Cl8]'
_cell_volume [438.2750]
_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  0.0000  0.5000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4783  0.4943  0.7600  1.0
  Cl  Cl3  2  0.1256  0.2176  0.1832  1.0
  Cl  Cl4  2  0.1360  0.3117  0.7730  1.0
  Cl  Cl5  2  0.3718  0.7208  0.0128  1.0
  Cl  Cl6  2  0.4063  0.7174  0.5010  1.0
]