data_[Tb2Ti4O12]
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 [C2/m]
_cell_length_a [9.9869]
_cell_length_b [3.7726]
_cell_length_c [7.0480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTi2O6]
_chemical_formula_sum '[Tb2 Ti4 O12]'
_cell_volume [232.8094]
_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  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  4  0.1725  0.0000  0.6117  1.0
  O  O2  4  0.0210  0.0000  0.6918  1.0
  O  O3  4  0.1554  0.5000  0.1165  1.0
  O  O4  4  0.2110  0.5000  0.5860  1.0
]