data_[Tm4I8O24]
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 [C2/c]
_cell_length_a [9.3842]
_cell_length_b [11.7560]
_cell_length_c [5.8734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm(IO3)2]
_chemical_formula_sum '[Tm4 I8 O24]'
_cell_volume [633.1722]
_cell_formula_units_Z [4]
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  0.0000  0.0846  0.2500  1
  I  I1  8  0.1826  0.3722  0.2099  1
  O  O2  8  0.0995  0.3874  0.4638  1
  O  O3  8  0.1300  0.0500  0.6103  1
  O  O4  8  0.1483  0.2149  0.1592  1
]