data_[Sm8In4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7053]
_cell_length_b [4.5409]
_cell_length_c [8.3365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2InI]
_chemical_formula_sum '[Sm8 In4 I4]'
_cell_volume [542.7478]
_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  0.0205  0.5000  0.7963  1
  Sm  Sm1  4  0.2490  0.5000  0.1903  1
  In  In2  4  0.1048  0.0000  0.0504  1
  I  I3  4  0.1487  0.5000  0.5340  1
]