data_[Tb6Sc3Tl3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7277]
_cell_length_b [5.7277]
_cell_length_c [15.0440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb2ScTlO6]
_chemical_formula_sum '[Tb6 Sc3 Tl3 O18]'
_cell_volume [427.4168]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.4771  1
  Tb  Tb1  3  0.0000  0.0000  0.9718  1
  Sc  Sc2  3  0.0000  0.0000  0.1885  1
  Tl  Tl3  3  0.0000  0.0000  0.6951  1
  O  O4  9  0.0406  0.6939  0.2481  1
  O  O5  9  0.0539  0.3819  0.7537  1
]