data_[La4Nd12Al4]
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 [Ama2]
_cell_length_a [10.5522]
_cell_length_b [9.7295]
_cell_length_c [6.4580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [LaNd3Al]
_chemical_formula_sum '[La4 Nd12 Al4]'
_cell_volume [663.0238]
_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  0.2500  0.1371  0.3745  1
  Nd  Nd1  8  0.0676  0.3102  0.0112  1
  Nd  Nd2  4  0.2500  0.4962  0.3677  1
  Al  Al3  4  0.0000  0.0000  0.1194  1
]