data_Tb(HO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   3.52
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   118.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb(HO)3
_chemical_formula_sum   'Tb2 H6 O6'
_cell_volume   125.92
_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  1  0.08  0.64  0.81  1.0
  Tb  Tb1  1  0.17  0.88  0.84  1.0
  H  H2  1  0.28  0.64  0.95  1.0
  H  H3  1  0.28  0.64  0.77  1.0
  H  H4  1  0.08  0.64  0.8  1.0
  H  H5  1  0.97  0.88  0.71  1.0
  H  H6  1  0.97  0.88  0.88  1.0
  H  H7  1  0.17  0.88  0.86  1.0
  O  O8  1  0.51  0.64  0.36  1.0
  O  O9  1  0.22  0.64  0.48  1.0
  O  O10  1  0.83  0.64  0.74  1.0
  O  O11  1  0.75  0.88  0.3  1.0
  O  O12  1  0.04  0.88  0.17  1.0
  O  O13  1  0.42  0.88  0.92  1.0

data_Tb(HO)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.52
_cell_length_b   6.33
_cell_length_c   6.44
_cell_angle_alpha   118.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tb(HO)3
_chemical_formula_sum   'Tb2 H6 O6'
_cell_volume   125.92
_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  0.12  0.54  0.02  1.0
  H  H1  2  0.12  0.34  0.88  1.0
  H  H2  2  0.12  0.34  0.05  1.0
  H  H3  2  0.12  0.55  0.03  1.0
  O  O4  2  0.12  0.12  0.47  1.0
  O  O5  2  0.12  0.41  0.35  1.0
  O  O6  2  0.12  0.8  0.09  1.0

Tb Tb H H H H H H O O O O O O