data_[Sm12Ag4Ru4]
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 [6.5533]
_cell_length_b [15.5848]
_cell_length_c [5.7897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3AgRu]
_chemical_formula_sum '[Sm12 Ag4 Ru4]'
_cell_volume [522.9981]
_cell_formula_units_Z [4]
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  0.1919  0.1104  0.8630  1.0
  Sm  Sm1  4  0.0000  0.3090  0.5000  1.0
  Ag  Ag2  4  0.2324  0.5000  0.5810  1.0
  Ru  Ru3  4  0.0000  0.2507  0.0000  1.0
]