data_[Cs4Rb4Hg8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6407]
_cell_length_b [15.9904]
_cell_length_c [10.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsRb(HgBr3)2]
_chemical_formula_sum '[Cs4 Rb4 Hg8 Br24]'
_cell_volume [1933.9953]
_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  4  0.0000  0.0545  0.7500  1.0
  Rb  Rb1  4  0.0000  0.4215  0.2500  1.0
  Hg  Hg2  8  0.1673  0.3499  0.8893  1.0
  Br  Br3  8  0.0490  0.3810  0.5893  1.0
  Br  Br4  8  0.2087  0.0090  0.0744  1.0
  Br  Br5  8  0.2499  0.2086  0.8248  1.0
]