data_[Sm12Ag2Ru4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2923]
_cell_length_b [12.6233]
_cell_length_c [8.4301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AgRu2I3]
_chemical_formula_sum '[Sm12 Ag2 Ru4 I6]'
_cell_volume [743.2943]
_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  0.2436  0.1811  0.1867  1.0
  Sm  Sm1  4  0.1994  0.5000  0.1854  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0000  0.3331  0.0000  1.0
  I  I4  4  0.0000  0.1649  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]