data_[Rb3Tl8Hg1]
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 [6.9277]
_cell_length_b [6.9277]
_cell_length_c [10.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Rb3Tl8Hg]
_chemical_formula_sum '[Rb3 Tl8 Hg1]'
_cell_volume [444.0470]
_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  0.0785  1.0
  Rb  Rb1  1  0.6667  0.3333  0.5527  1.0
  Rb  Rb2  1  0.6667  0.3333  0.9378  1.0
  Tl  Tl3  3  0.0024  0.5012  0.2566  1.0
  Tl  Tl4  3  0.1620  0.8380  0.7433  1.0
  Tl  Tl5  1  0.3333  0.6667  0.5037  1.0
  Tl  Tl6  1  0.3333  0.6667  0.9958  1.0
  Hg  Hg7  1  0.0000  0.0000  0.4317  1.0
]