data_[Rb3Tl6Hg3Br18]
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 [R3]
_cell_length_a [7.7960]
_cell_length_b [7.7960]
_cell_length_c [22.1833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTl2HgBr6]
_chemical_formula_sum '[Rb3 Tl6 Hg3 Br18]'
_cell_volume [1167.6198]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4923  1.0
  Tl  Tl1  3  0.0000  0.0000  0.2955  1.0
  Tl  Tl2  3  0.0000  0.0000  0.7785  1.0
  Hg  Hg3  3  0.0000  0.0000  0.9740  1.0
  Br  Br4  9  0.0081  0.6350  0.7099  1.0
  Br  Br5  9  0.0235  0.4065  0.5568  1.0
]