data_[La4Nd6Sm6]
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 [Immm]
_cell_length_a [5.1948]
_cell_length_b [5.2025]
_cell_length_c [20.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La2(NdSm)3]
_chemical_formula_sum '[La4 Nd6 Sm6]'
_cell_volume [562.3714]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.2500  1.0
  Nd  Nd1  4  0.0000  0.5000  0.1235  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm3  4  0.0000  0.5000  0.3767  1.0
  Sm  Sm4  2  0.0000  0.0000  0.0000  1.0
]