data_[Sm2Y2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.4076]
_cell_length_b [4.1660]
_cell_length_c [19.3042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmYI4]
_chemical_formula_sum '[Sm2 Y2 I8]'
_cell_volume [1158.6816]
_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  0.1140  0.7500  0.5019  1
  Y  Y1  2  0.3575  0.2500  0.5022  1
  I  I2  2  0.0418  0.2500  0.6115  1
  I  I3  2  0.2043  0.2500  0.3963  1
  I  I4  2  0.2887  0.7500  0.6067  1
  I  I5  2  0.4582  0.7500  0.4083  1
]