data_[La12Nd4Sm20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5426]
_cell_length_b [8.4674]
_cell_length_c [12.8218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3NdSm5]
_chemical_formula_sum '[La12 Nd4 Sm20]'
_cell_volume [1339.3817]
_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  0.1158  0.5000  0.2123  1
  La  La1  4  0.2285  0.5000  0.4692  1
  La  La2  2  0.0000  0.0000  0.0000  1
  La  La3  2  0.0000  0.0000  0.5000  1
  Nd  Nd4  4  0.1367  0.0000  0.2651  1
  Sm  Sm5  8  0.1353  0.1946  0.7749  1
  Sm  Sm6  4  0.0000  0.3177  0.0000  1
  Sm  Sm7  4  0.0533  0.5000  0.6266  1
  Sm  Sm8  4  0.2412  0.5000  0.9732  1
]