data_[Tm12O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8718]
_cell_length_b [3.4337]
_cell_length_c [8.5094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2O3]
_chemical_formula_sum '[Tm12 O18]'
_cell_volume [398.6923]
_cell_formula_units_Z [6]
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
[
  Tm  Tm0  4  0.0320  0.0000  0.8144  1.0
  Tm  Tm1  4  0.1351  0.5000  0.4875  1.0
  Tm  Tm2  4  0.1917  0.5000  0.1373  1.0
  O  O3  4  0.0298  0.5000  0.6573  1.0
  O  O4  4  0.1276  0.0000  0.2813  1.0
  O  O5  4  0.1744  0.0000  0.9689  1.0
  O  O6  4  0.2070  0.0000  0.6225  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]