data_[Sm8I4O8]
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/m]
_cell_length_a [12.8656]
_cell_length_b [4.1573]
_cell_length_c [9.3824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2IO2]
_chemical_formula_sum '[Sm8 I4 O8]'
_cell_volume [440.1287]
_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  0.0276  0.0000  0.2830  1.0
  Sm  Sm1  4  0.1516  0.5000  0.0504  1.0
  I  I2  4  0.1851  0.5000  0.6283  1.0
  O  O3  4  0.0327  0.5000  0.1865  1.0
  O  O4  4  0.1570  0.0000  0.9241  1.0
]