data_[Cs4Ag4Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  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 [15.0739]
_cell_length_b [7.9114]
_cell_length_c [7.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ag2HgBr6]
_chemical_formula_sum '[Cs4 Ag4 Hg2 Br12]'
_cell_volume [825.7176]
_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  0.2374  0.5000  0.2035  1.0
  Ag  Ag1  4  0.0718  0.0000  0.2134  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.0424  0.2573  0.7865  1.0
  Br  Br4  4  0.2375  0.5000  0.6788  1.0
]