data_[Tm2I4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.7511]
_cell_length_b [5.1803]
_cell_length_c [9.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Tm(IO3)2]
_chemical_formula_sum '[Tm2 I4 O12]'
_cell_volume [272.2382]
_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  2  0.1986  0.5771  0.2329  1
  I  I1  2  0.2735  0.0440  0.5606  1
  I  I2  2  0.2963  0.5231  0.8924  1
  O  O3  2  0.0117  0.8472  0.6045  1
  O  O4  2  0.1381  0.2639  0.7473  1
  O  O5  2  0.1809  0.3140  0.0419  1
  O  O6  2  0.3436  0.7917  0.0447  1
  O  O7  2  0.3561  0.8308  0.4011  1
  O  O8  2  0.4760  0.8712  0.6887  1
]