data_[Rb1Th1Tl2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9315]
_cell_length_b [10.8647]
_cell_length_c [8.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbTh(TlI4)2]
_chemical_formula_sum '[Rb1 Th1 Tl2 I8]'
_cell_volume [640.7776]
_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  0.5000  0.0000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.5000  0.2229  0.5000  1
  I  I3  4  0.2544  0.2096  0.1339  1
  I  I4  2  0.2199  0.0000  0.6889  1
  I  I5  2  0.2428  0.5000  0.5128  1
]