data_[Rb8Tl12Hg20]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9363]
_cell_length_b [16.7582]
_cell_length_c [7.9314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb2Tl3Hg5]
_chemical_formula_sum '[Rb8 Tl12 Hg20]'
_cell_volume [1453.6133]
_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  8  0.2469  0.3676  0.5000  1.0
  Tl  Tl1  8  0.1034  0.3726  0.0000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg3  8  0.0000  0.2416  0.2500  1.0
  Hg  Hg4  8  0.1180  0.1239  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.2500  1.0
]