data_[Rb8Tl8Hg4]
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 [C2/m]
_cell_length_a [12.9787]
_cell_length_b [5.6571]
_cell_length_c [13.2166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl2Hg]
_chemical_formula_sum '[Rb8 Tl8 Hg4]'
_cell_volume [853.2657]
_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  0.0056  0.0000  0.3269  1.0
  Rb  Rb1  4  0.2066  0.0000  0.1173  1.0
  Tl  Tl2  4  0.0033  0.5000  0.1155  1.0
  Tl  Tl3  4  0.1479  0.5000  0.5480  1.0
  Hg  Hg4  4  0.2265  0.5000  0.3547  1.0
]