data_[Sm6Y4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0606]
_cell_length_b [3.9520]
_cell_length_c [8.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(YRu)2]
_chemical_formula_sum '[Sm6 Y4 Ru4]'
_cell_volume [376.2067]
_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  0.1204  0.5000  0.4294  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Y  Y2  4  0.1680  0.0000  0.8128  1.0
  Ru  Ru3  4  0.1797  0.0000  0.2247  1.0
]