data_[La4Nd1Sm1]
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 [Pmmm]
_cell_length_a [3.6929]
_cell_length_b [5.2981]
_cell_length_c [11.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [La4NdSm]
_chemical_formula_sum '[La4 Nd1 Sm1]'
_cell_volume [217.0103]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3329  1.0
  La  La1  2  0.5000  0.5000  0.1687  1.0
  Nd  Nd2  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  1  0.5000  0.5000  0.5000  1.0
]