data_TbTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   55.91
_cell_angle_beta   55.91
_cell_angle_gamma   55.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTiO3
_chemical_formula_sum   'Tb2 Ti2 O6'
_cell_volume   125.03
_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  Tb6  1  0.0  0.0  0.65  1.0
  Tb  Tb7  1  0.0  0.0  0.99  1.0
  Ti  Ti8  1  0.0  0.0  0.57  1.0
  Ti  Ti9  1  0.0  0.0  0.07  1.0
  O  O0  1  0.89  0.43  0.61  1.0
  O  O1  1  0.79  0.24  0.61  1.0
  O  O2  1  0.31  0.32  0.61  1.0
  O  O3  1  0.69  0.68  0.03  1.0
  O  O4  1  0.21  0.76  0.03  1.0
  O  O5  1  0.11  0.57  0.03  1.0

data_TbTiO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.8
_cell_angle_alpha   62.05
_cell_angle_beta   62.05
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbTiO3
_chemical_formula_sum   'Tb2 Ti2 O6'
_cell_volume   125.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.17  0.33  1.0
  Ti  Ti1  2  0.0  0.25  0.25  1.0
  O  O2  2  0.24  0.79  0.67  1.0
  O  O3  2  0.32  0.79  0.07  1.0
  O  O4  2  0.43  0.79  0.38  1.0

Tb Tb Ti Ti O O O O O O