data_[La8Nd4Al4]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4591]
_cell_length_b [7.2261]
_cell_length_c [12.4122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La2NdAl]
_chemical_formula_sum '[La8 Nd4 Al4]'
_cell_volume [489.6332]
_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  0.0000  0.2304  0.4068  1.0
  La  La1  2  0.0000  0.0000  0.1821  1.0
  La  La2  2  0.5000  0.0000  0.8227  1.0
  Nd  Nd3  4  0.5000  0.2323  0.5917  1.0
  Al  Al4  2  0.0000  0.0000  0.6638  1.0
  Al  Al5  2  0.5000  0.0000  0.3343  1.0
]