data_[La4Sm12Ru4]
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 [12.0519]
_cell_length_b [8.6896]
_cell_length_c [8.4147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.4860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSm3Ru]
_chemical_formula_sum '[La4 Sm12 Ru4]'
_cell_volume [639.3701]
_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  0.0464  0.0000  0.3327  1
  Sm  Sm1  8  0.2457  0.2986  0.7894  1
  Sm  Sm2  4  0.0504  0.5000  0.2522  1
  Ru  Ru3  4  0.2445  0.0000  0.8850  1
]