data_[La16Sm4Ru4]
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 [Immm]
_cell_length_a [6.1629]
_cell_length_b [7.6686]
_cell_length_c [16.7764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La4SmRu]
_chemical_formula_sum '[La16 Sm4 Ru4]'
_cell_volume [792.8656]
_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  8  0.0000  0.2548  0.1132  1.0
  La  La1  4  0.0000  0.0000  0.3272  1.0
  La  La2  4  0.0000  0.2926  0.5000  1.0
  Sm  Sm3  4  0.0000  0.5000  0.3005  1.0
  Ru  Ru4  4  0.2468  0.5000  0.0000  1.0
]