data_[Rb3Ti3Tl6Cl18]
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 [R3]
_cell_length_a [7.7033]
_cell_length_b [7.7033]
_cell_length_c [19.2754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTi(TlCl3)2]
_chemical_formula_sum '[Rb3 Ti3 Tl6 Cl18]'
_cell_volume [990.5844]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1844  1
  Ti  Ti1  3  0.0000  0.0000  0.6771  1
  Tl  Tl2  3  0.0000  0.0000  0.4652  1
  Tl  Tl3  3  0.0000  0.0000  0.9718  1
  Cl  Cl4  9  0.0461  0.2843  0.7467  1
  Cl  Cl5  9  0.0961  0.6977  0.2664  1
]