data_[Sm4I8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [9.6292]
_cell_length_b [12.0903]
_cell_length_c [6.1466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(IO3)2]
_chemical_formula_sum '[Sm4 I8 O24]'
_cell_volume [691.9594]
_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
[
  Sm  Sm0  4  0.0000  0.0897  0.2500  1
  I  I1  8  0.1784  0.3777  0.2107  1
  O  O2  8  0.1056  0.3932  0.4569  1
  O  O3  8  0.1333  0.0493  0.6201  1
  O  O4  8  0.1485  0.2246  0.1679  1
]