data_[La4Nd4Al12]
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 [Cmcm]
_cell_length_a [4.4014]
_cell_length_b [27.2182]
_cell_length_c [4.4161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaNdAl3]
_chemical_formula_sum '[La4 Nd4 Al12]'
_cell_volume [529.0482]
_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  0.0726  0.7500  1
  Nd  Nd1  4  0.0000  0.2049  0.2500  1
  Al  Al2  4  0.0000  0.3282  0.2500  1
  Al  Al3  4  0.0000  0.3809  0.7500  1
  Al  Al4  4  0.0000  0.4762  0.7500  1
]