data_[Tb2Ti6O12]
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 [P2_1/m]
_cell_length_a [8.5132]
_cell_length_b [3.0557]
_cell_length_c [8.7171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTi3O6]
_chemical_formula_sum '[Tb2 Ti6 O12]'
_cell_volume [212.9570]
_cell_formula_units_Z [2]
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  2  0.0667  0.2500  0.7041  1
  Ti  Ti1  2  0.1745  0.2500  0.0984  1
  Ti  Ti2  2  0.3223  0.7500  0.4916  1
  Ti  Ti3  2  0.4609  0.2500  0.8445  1
  O  O4  2  0.0760  0.7500  0.9187  1
  O  O5  2  0.1302  0.2500  0.4641  1
  O  O6  2  0.1936  0.7500  0.2494  1
  O  O7  2  0.2903  0.7500  0.7330  1
  O  O8  2  0.3741  0.2500  0.0365  1
  O  O9  2  0.4789  0.2500  0.6130  1
]