data_[Tb12Ti4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1079]
_cell_length_b [10.9300]
_cell_length_c [5.4909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3TiO6]
_chemical_formula_sum '[Tb12 Ti4 O24]'
_cell_volume [546.6199]
_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  0.1973  0.1065  0.9719  1.0
  Tb  Tb1  4  0.0000  0.3963  0.9203  1.0
  Ti  Ti2  4  0.0000  0.1607  0.4904  1.0
  O  O3  8  0.1502  0.2487  0.6604  1.0
  O  O4  8  0.1560  0.4852  0.1978  1.0
  O  O5  4  0.0000  0.0156  0.7515  1.0
  O  O6  4  0.0000  0.2205  0.1629  1.0
]