data_[Cs1Li1Hg2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5483]
_cell_length_b [7.4603]
_cell_length_c [8.7379]
_cell_angle_alpha [100.3484]
_cell_angle_beta [101.0850]
_cell_angle_gamma [114.8299]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi(HgCl3)2]
_chemical_formula_sum '[Cs1 Li1 Hg2 Cl6]'
_cell_volume [363.5652]
_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  0.9893  0.5018  0.5091  1.0
  Li  Li1  1  0.0899  0.0282  0.0847  1.0
  Hg  Hg2  1  0.3621  0.7022  0.0284  1.0
  Hg  Hg3  1  0.6116  0.2750  0.9824  1.0
  Cl  Cl4  1  0.1656  0.7787  0.2185  1.0
  Cl  Cl5  1  0.1872  0.9305  0.8424  1.0
  Cl  Cl6  1  0.4563  0.3808  0.1987  1.0
  Cl  Cl7  1  0.4985  0.5686  0.8216  1.0
  Cl  Cl8  1  0.7991  0.0648  0.1859  1.0
  Cl  Cl9  1  0.8749  0.2815  0.8256  1.0
]