data_[Tb12Tl4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.0172]
_cell_length_b [11.3386]
_cell_length_c [5.6820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3TlO6]
_chemical_formula_sum '[Tb12 Tl4 O24]'
_cell_volume [580.9436]
_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
[
  Tb  Tb0  8  0.1969  0.1057  0.5252  1
  Tb  Tb1  4  0.0000  0.4008  0.5812  1
  Tl  Tl2  4  0.0000  0.1819  0.0166  1
  O  O3  8  0.1603  0.4808  0.3042  1
  O  O4  8  0.1686  0.2687  0.7934  1
  O  O5  4  0.0000  0.0220  0.7913  1
  O  O6  4  0.0000  0.2198  0.3800  1
]