data_[Rb4Ba4Hg4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/c]
_cell_length_a [10.2444]
_cell_length_b [13.5994]
_cell_length_c [11.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbBaHgBr5]
_chemical_formula_sum '[Rb4 Ba4 Hg4 Br20]'
_cell_volume [1447.9530]
_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
[
  Rb  Rb0  4  0.0000  0.3508  0.2500  1.0
  Ba  Ba1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.3192  0.7500  1.0
  Br  Br3  8  0.1314  0.2128  0.6315  1.0
  Br  Br4  8  0.1665  0.4412  0.9374  1.0
  Br  Br5  4  0.0000  0.1021  0.2500  1.0
]