data_[Rb2Ti2Tl2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5845]
_cell_length_b [4.6765]
_cell_length_c [12.7232]
_cell_angle_alpha [79.4961]
_cell_angle_beta [80.4339]
_cell_angle_gamma [60.7063]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbTiTl]
_chemical_formula_sum '[Rb2 Ti2 Tl2]'
_cell_volume [232.9669]
_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  2  0.2672  0.7629  0.1763  1
  Ti  Ti1  2  0.1456  0.7063  0.5015  1
  Tl  Tl2  2  0.4630  0.9615  0.6221  1
]