data_[Cs8Ba4Hg4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.0120]
_cell_length_b [12.0120]
_cell_length_c [12.0120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Cs2BaHgBr6]
_chemical_formula_sum '[Cs8 Ba4 Hg4 Br24]'
_cell_volume [1733.1985]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2500  1.0
  Ba  Ba1  4  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  24  0.0000  0.0000  0.2368  1.0
]