data_[La16Nd10Al2]
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 [I-4]
_cell_length_a [10.4687]
_cell_length_b [10.4687]
_cell_length_c [9.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La8Nd5Al]
_chemical_formula_sum '[La16 Nd10 Al2]'
_cell_volume [999.4643]
_cell_formula_units_Z [2]
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  8  0.0267  0.8392  0.3074  1
  La  La1  8  0.1581  0.7544  0.9586  1
  Nd  Nd2  8  0.0575  0.6564  0.6122  1
  Nd  Nd3  2  0.0000  0.5000  0.2500  1
  Al  Al4  2  0.0000  0.0000  0.0000  1
]