data_LiTbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   50.72
_cell_angle_beta   50.72
_cell_angle_gamma   50.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTbO3
_chemical_formula_sum   'Li2 Tb2 O6'
_cell_volume   115.54
_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
  Li  Li0  1  0.0  0.0  0.41  1.0
  Li  Li1  1  0.0  0.0  0.07  1.0
  Tb  Tb8  1  0.0  0.0  0.83  1.0
  Tb  Tb9  1  0.0  0.0  0.65  1.0
  O  O2  1  0.65  0.38  0.49  1.0
  O  O3  1  0.37  0.61  0.49  1.0
  O  O4  1  0.98  0.01  0.49  1.0
  O  O5  1  0.02  0.99  0.99  1.0
  O  O6  1  0.63  0.39  0.99  1.0
  O  O7  1  0.35  0.62  0.99  1.0

data_LiTbO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.94
_cell_angle_alpha   64.64
_cell_angle_beta   64.64
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiTbO3
_chemical_formula_sum   'Li2 Tb2 O6'
_cell_volume   115.54
_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
  Li  Li0  2  0.0  0.33  0.17  1.0
  Tb  Tb1  2  0.0  0.09  0.41  1.0
  O  O2  2  0.01  0.75  0.76  1.0
  O  O3  2  0.38  0.75  0.72  1.0
  O  O4  2  0.39  0.25  0.23  1.0

Li Li Tb Tb O O O O O O