data_[Tm4O6]
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 [Pm]
_cell_length_a [21.3550]
_cell_length_b [3.7642]
_cell_length_c [21.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tm2O3]
_chemical_formula_sum '[Tm4 O6]'
_cell_volume [1486.6380]
_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
[
  Tm  Tm0  1  0.2541  0.5000  0.1961  1
  Tm  Tm1  1  0.4576  0.5000  0.2257  1
  Tm  Tm2  1  0.5439  0.0000  0.7781  1
  Tm  Tm3  1  0.7444  0.0000  0.8001  1
  O  O4  1  0.2133  0.0000  0.1926  1
  O  O5  1  0.3557  0.5000  0.2104  1
  O  O6  1  0.5002  0.0000  0.2338  1
  O  O7  1  0.5020  0.5000  0.7717  1
  O  O8  1  0.6443  0.0000  0.7895  1
  O  O9  1  0.7844  0.5000  0.8020  1
]