data_[Rb4Hg2I2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.4464]
_cell_length_b [8.4464]
_cell_length_c [11.6063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb2HgIBr6]
_chemical_formula_sum '[Rb4 Hg2 I2 Br12]'
_cell_volume [828.0187]
_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
[
  Rb  Rb0  4  0.0000  0.5000  0.2500  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.2247  0.2247  0.0000  1.0
  Br  Br4  4  0.0000  0.0000  0.2680  1.0
]