data_[Sm4Y2Ru4]
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 [P2_1/m]
_cell_length_a [5.5683]
_cell_length_b [4.3932]
_cell_length_c [10.4466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm2YRu2]
_chemical_formula_sum '[Sm4 Y2 Ru4]'
_cell_volume [253.7143]
_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  2  0.1097  0.2500  0.8828  1
  Sm  Sm1  2  0.2514  0.2500  0.5292  1
  Y  Y2  2  0.4157  0.2500  0.2144  1
  Ru  Ru3  2  0.2536  0.7500  0.3478  1
  Ru  Ru4  2  0.3613  0.7500  0.0404  1
]