data_[Rb12Tl12]
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 [Pbcm]
_cell_length_a [20.4292]
_cell_length_b [18.1410]
_cell_length_c [9.6123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [RbTl]
_chemical_formula_sum '[Rb12 Tl12]'
_cell_volume [3562.3754]
_cell_formula_units_Z [12]
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  8  0.3671  0.1207  0.0054  1
  Rb  Rb1  4  0.4272  0.7500  0.0000  1
  Tl  Tl2  8  0.4598  0.5532  0.0928  1
  Tl  Tl3  4  0.4863  0.5984  0.7500  1
]