data_[La8Sm4Ru8]
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 [C2/m]
_cell_length_a [11.7456]
_cell_length_b [4.5265]
_cell_length_c [10.4052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2SmRu2]
_chemical_formula_sum '[La8 Sm4 Ru8]'
_cell_volume [502.5910]
_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
[
  La  La0  4  0.0212  0.5000  0.6936  1.0
  La  La1  4  0.1710  0.5000  0.0771  1.0
  Sm  Sm2  4  0.2096  0.0000  0.3655  1.0
  Ru  Ru3  4  0.0474  0.0000  0.9024  1.0
  Ru  Ru4  4  0.1212  0.0000  0.6033  1.0
]