data_[Sm16Ga8I8]
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/c]
_cell_length_a [8.8702]
_cell_length_b [17.2986]
_cell_length_c [7.4990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm2GaI]
_chemical_formula_sum '[Sm16 Ga8 I8]'
_cell_volume [956.1441]
_cell_formula_units_Z [8]
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  8  0.2018  0.0634  0.2253  1.0
  Sm  Sm1  8  0.2368  0.1883  0.7269  1.0
  Ga  Ga2  4  0.0000  0.0707  0.7500  1.0
  Ga  Ga3  4  0.0000  0.1954  0.2500  1.0
  I  I4  4  0.0000  0.3213  0.7500  1.0
  I  I5  4  0.0000  0.4446  0.2500  1.0
]