data_[Sm16Ag4Ru2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6804]
_cell_length_b [5.2922]
_cell_length_c [6.9977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Ag2Ru]
_chemical_formula_sum '[Sm16 Ag4 Ru2]'
_cell_volume [628.2116]
_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  0.0259  0.0000  0.7908  1.0
  Sm  Sm1  4  0.0886  0.5000  0.4329  1.0
  Sm  Sm2  4  0.1580  0.5000  0.9704  1.0
  Sm  Sm3  4  0.2006  0.0000  0.3099  1.0
  Ag  Ag4  4  0.1844  0.0000  0.7178  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]