data_[Rb4Ti4Tl4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8134]
_cell_length_b [12.9202]
_cell_length_c [5.4978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTiTlO3]
_chemical_formula_sum '[Rb4 Ti4 Tl4 O12]'
_cell_volume [475.6570]
_cell_formula_units_Z [4]
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  0.4061  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0463  0.2500  1.0
  Tl  Tl2  4  0.0000  0.2114  0.7500  1.0
  O  O3  8  0.1777  0.0311  0.9874  1.0
  O  O4  4  0.0000  0.1858  0.2500  1.0
]