data_[Rb6Tl26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2580]
_cell_length_b [11.5962]
_cell_length_c [11.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Rb3Tl13]
_chemical_formula_sum '[Rb6 Tl26]'
_cell_volume [1129.4346]
_cell_formula_units_Z [2]
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  0.2657  0.0000  0.0090  1.0
  Rb  Rb1  2  0.0000  0.0000  0.7405  1.0
  Tl  Tl2  8  0.2664  0.2394  0.2518  1.0
  Tl  Tl3  4  0.0000  0.2311  0.4872  1.0
  Tl  Tl4  4  0.2476  0.0000  0.4916  1.0
  Tl  Tl5  4  0.5000  0.2203  0.5042  1.0
  Tl  Tl6  2  0.0000  0.0000  0.2683  1.0
  Tl  Tl7  2  0.5000  0.0000  0.2795  1.0
  Tl  Tl8  2  0.5000  0.0000  0.7204  1.0
]