data_[Ti3Tl6W9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3829]
_cell_length_b [7.3829]
_cell_length_c [17.8611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TiTl2(WO4)3]
_chemical_formula_sum '[Ti3 Tl6 W9 O36]'
_cell_volume [843.1189]
_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
[
  Ti  Ti0  3  0.0000  0.0000  0.0000  1
  Tl  Tl1  6  0.0000  0.0000  0.3521  1
  W  W2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0836  0.5418  0.6026  1
  O  O4  18  0.0861  0.5431  0.8556  1
]