data_[Sm8Ga2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5002]
_cell_length_b [4.2949]
_cell_length_c [9.0017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4GaI5]
_chemical_formula_sum '[Sm8 Ga2 I10]'
_cell_volume [736.0674]
_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  0.7830  1.0
  Sm  Sm1  4  0.1484  0.5000  0.0748  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1669  0.0000  0.3375  1.0
  I  I4  4  0.1723  0.0000  0.8272  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]