data_[Sm2In6I12]
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 [P2_1/c]
_cell_length_a [8.1498]
_cell_length_b [9.2256]
_cell_length_c [13.9383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm(InI2)3]
_chemical_formula_sum '[Sm2 In6 I12]'
_cell_volume [898.3725]
_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  0.0000  0.0000  1.0
  In  In1  4  0.3156  0.5997  0.2837  1.0
  In  In2  2  0.5000  0.0000  0.5000  1.0
  I  I3  4  0.0872  0.5623  0.7401  1.0
  I  I4  4  0.2401  0.2170  0.5825  1.0
  I  I5  4  0.3644  0.6675  0.5485  1.0
]