data_[Tm2O3]
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 [P2]
_cell_length_a [4.0421]
_cell_length_b [8.0986]
_cell_length_c [17.1679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Tm2O3]
_chemical_formula_sum '[Tm2 O3]'
_cell_volume [562.0005]
_cell_formula_units_Z [1]
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  2  0.2252  0.4892  0.9369  1
  O  O1  2  0.2642  0.4002  0.0585  1
  O  O2  1  0.0000  0.6773  0.0000  1
]