data_[Rb4Ti2Tl2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.2963]
_cell_length_b [10.9786]
_cell_length_c [8.5024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Rb2TiTlCl6]
_chemical_formula_sum '[Rb4 Ti2 Tl2 Cl12]'
_cell_volume [681.0663]
_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  0.2847  0.1863  1.0
  Ti  Ti1  2  0.0000  0.0000  0.7966  1.0
  Tl  Tl2  2  0.0000  0.5000  0.6966  1.0
  Cl  Cl3  4  0.0000  0.2245  0.7980  1.0
  Cl  Cl4  4  0.2291  0.0000  0.0084  1.0
  Cl  Cl5  4  0.2389  0.0000  0.6003  1.0
]