data_[La8Sm2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9354]
_cell_length_b [6.8001]
_cell_length_c [8.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La4SmRu2]
_chemical_formula_sum '[La8 Sm2 Ru4]'
_cell_volume [405.4671]
_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
[
  La  La0  4  0.2379  0.0021  0.5838  1
  La  La1  2  0.3090  0.7500  0.2412  1
  La  La2  2  0.3855  0.2500  0.0320  1
  Sm  Sm3  2  0.0261  0.2500  0.1567  1
  Ru  Ru4  2  0.0104  0.2500  0.7630  1
  Ru  Ru5  2  0.4112  0.2500  0.3538  1
]