data_[Sm12Ga2Os4I6]
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
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2864]
_cell_length_b [12.6371]
_cell_length_c [8.3867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6GaOs2I3]
_chemical_formula_sum '[Sm12 Ga2 Os4 I6]'
_cell_volume [738.7314]
_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  8  0.2405  0.1779  0.1885  1.0
  Sm  Sm1  4  0.2079  0.5000  0.1885  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Os  Os3  4  0.0000  0.3335  0.0000  1.0
  I  I4  4  0.0000  0.1643  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]