data_[Sm2Al1In1I2]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4411]
_cell_length_b [4.4411]
_cell_length_c [12.4279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm2AlInI2]
_chemical_formula_sum '[Sm2 Al1 In1 I2]'
_cell_volume [212.2819]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.1723  1
  Sm  Sm1  1  0.6667  0.3333  0.8259  1
  Al  Al2  1  0.0000  0.0000  0.0291  1
  In  In3  1  0.3333  0.6667  0.9747  1
  I  I4  1  0.0000  0.0000  0.6683  1
  I  I5  1  0.3333  0.6667  0.3296  1
]