data_[La21Pr3Nd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.8975]
_cell_length_b [13.8975]
_cell_length_c [12.9369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La7PrNd12]
_chemical_formula_sum '[La21 Pr3 Nd36]'
_cell_volume [2163.8861]
_cell_formula_units_Z [3]
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  18  0.0898  0.1796  0.7668  1.0
  La  La1  3  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd3  18  0.0000  0.2598  0.0000  1.0
  Nd  Nd4  18  0.0418  0.5209  0.1176  1.0
]