data_[Rb4Tl8Hg4Br16]
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 [Cmcm]
_cell_length_a [5.2583]
_cell_length_b [14.9994]
_cell_length_c [16.4309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbTl2HgBr4]
_chemical_formula_sum '[Rb4 Tl8 Hg4 Br16]'
_cell_volume [1295.9279]
_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  0.1489  0.7500  1.0
  Tl  Tl1  8  0.0000  0.3714  0.5426  1.0
  Hg  Hg2  4  0.0000  0.1087  0.2500  1.0
  Br  Br3  8  0.0000  0.2628  0.1253  1.0
  Br  Br4  4  0.0000  0.0000  0.0000  1.0
  Br  Br5  4  0.0000  0.4430  0.7500  1.0
]