data_[Rb2Tl2Hg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9560]
_cell_length_b [7.7545]
_cell_length_c [9.3461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTlHgBr4]
_chemical_formula_sum '[Rb2 Tl2 Hg2 Br8]'
_cell_volume [548.3520]
_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  2  0.2215  0.7500  0.5586  1.0
  Tl  Tl1  2  0.2438  0.7500  0.0589  1.0
  Hg  Hg2  2  0.2447  0.2500  0.2968  1.0
  Br  Br3  4  0.0012  0.5072  0.2311  1.0
  Br  Br4  2  0.4186  0.2500  0.5883  1.0
  Br  Br5  2  0.4323  0.2500  0.1096  1.0
]