data_[Sm2H36I6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.0761]
_cell_length_b [11.5998]
_cell_length_c [8.9771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [SmH18(IO3)3]
_chemical_formula_sum '[Sm2 H36 I6 O18]'
_cell_volume [840.9920]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.6641  1
  H  H1  8  0.2098  0.1702  0.3694  1
  H  H2  8  0.2148  0.1003  0.5193  1
  H  H3  8  0.2204  0.0676  0.1164  1
  H  H4  4  0.0000  0.2336  0.7519  1
  H  H5  4  0.0000  0.2990  0.9050  1
  H  H6  4  0.0000  0.4315  0.3188  1
  I  I7  4  0.0000  0.2373  0.1715  1
  I  I8  2  0.0000  0.0000  0.6932  1
  O  O9  8  0.2144  0.3708  0.5623  1
  O  O10  4  0.0000  0.3111  0.7958  1
  O  O11  4  0.2072  0.5000  0.8708  1
  O  O12  2  0.0000  0.5000  0.3839  1
]