data_[Rb6Tl16Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4202]
_cell_length_b [12.1362]
_cell_length_c [15.3081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb3Tl8Sn3]
_chemical_formula_sum '[Rb6 Tl16 Sn6]'
_cell_volume [1006.9816]
_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  0.0000  0.0000  0.2001  1.0
  Rb  Rb1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  8  0.0000  0.2834  0.3695  1.0
  Tl  Tl3  8  0.0000  0.3588  0.1621  1.0
  Sn  Sn4  4  0.0000  0.1830  0.0000  1.0
  Sn  Sn5  2  0.0000  0.5000  0.5000  1.0
]