data_[Sm8Al2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6154]
_cell_length_b [4.2774]
_cell_length_c [9.0753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4AlI5]
_chemical_formula_sum '[Sm8 Al2 I10]'
_cell_volume [743.3756]
_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  4  0.0001  0.0000  0.7768  1
  Sm  Sm1  4  0.1496  0.5000  0.0766  1
  Al  Al2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1668  0.0000  0.3376  1
  I  I4  4  0.1725  0.0000  0.8297  1
  I  I5  2  0.0000  0.5000  0.5000  1
]