data_[La12Nd20]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.4648]
_cell_length_b [12.0567]
_cell_length_c [12.9052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Nd5]
_chemical_formula_sum '[La12 Nd20]'
_cell_volume [1161.4804]
_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  0.2464  0.0000  0.2093  1
  La  La1  4  0.5000  0.2495  0.2912  1
  La  La2  2  0.0000  0.0000  0.4586  1
  La  La3  2  0.5000  0.0000  0.9586  1
  Nd  Nd4  8  0.2496  0.2496  0.5416  1
  Nd  Nd5  4  0.0000  0.2468  0.7908  1
  Nd  Nd6  4  0.2501  0.0000  0.7083  1
  Nd  Nd7  2  0.0000  0.0000  0.9571  1
  Nd  Nd8  2  0.5000  0.0000  0.4603  1
]