data_[Cs4Li2Hg4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0367]
_cell_length_b [8.0939]
_cell_length_c [8.7727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li(HgBr3)2]
_chemical_formula_sum '[Cs4 Li2 Hg4 Br12]'
_cell_volume [863.3110]
_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  4  0.2200  0.5000  0.2014  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.0448  0.0000  0.1851  1.0
  Br  Br3  8  0.0484  0.2774  0.7706  1.0
  Br  Br4  4  0.2350  0.5000  0.6265  1.0
]