data_[Sm20Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2233]
_cell_length_b [6.4966]
_cell_length_c [7.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5Ru2]
_chemical_formula_sum '[Sm20 Ru8]'
_cell_volume [767.3282]
_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  0.0931  0.1121  0.9142  1
  Sm  Sm1  8  0.2168  0.4236  0.3125  1
  Sm  Sm2  4  0.0000  0.4223  0.2500  1
  Ru  Ru3  8  0.1112  0.2863  0.5747  1
]