data_[Cs2Rb4Tl6Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5286]
_cell_length_b [4.7256]
_cell_length_c [9.4233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRb2(TlCl2)3]
_chemical_formula_sum '[Cs2 Rb4 Tl6 Cl12]'
_cell_volume [891.2461]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.0000  1.0
  Rb  Rb1  4  0.1678  0.0000  0.3381  1.0
  Tl  Tl2  4  0.1682  0.0000  0.8320  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  4  0.0016  0.0000  0.2646  1.0
  Cl  Cl5  4  0.1665  0.5000  0.5895  1.0
  Cl  Cl6  4  0.1737  0.5000  0.0876  1.0
]