data_[Rb1Tl3Hg8]
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 [P3m1]
_cell_length_a [6.3010]
_cell_length_b [6.3010]
_cell_length_c [10.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [RbTl3Hg8]
_chemical_formula_sum '[Rb1 Tl3 Hg8]'
_cell_volume [359.8547]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4353  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0592  1.0
  Tl  Tl2  1  0.6667  0.3333  0.5779  1.0
  Tl  Tl3  1  0.6667  0.3333  0.9328  1.0
  Hg  Hg4  3  0.1615  0.3230  0.7564  1.0
  Hg  Hg5  3  0.5043  0.0085  0.2414  1.0
  Hg  Hg6  1  0.3333  0.6667  0.5027  1.0
  Hg  Hg7  1  0.3333  0.6667  0.9985  1.0
]