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 [16.1536]
_cell_length_b [6.5111]
_cell_length_c [7.3695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm5Ru2]
_chemical_formula_sum '[Sm20 Ru8]'
_cell_volume [769.8603]
_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  0.0933  0.1140  0.4157  1.0
  Sm  Sm1  8  0.2172  0.4243  0.8142  1.0
  Sm  Sm2  4  0.0000  0.4226  0.7500  1.0
  Ru  Ru3  8  0.1104  0.2863  0.0744  1.0
]