data_[La16Nd4Al4]
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 [C2/c]
_cell_length_a [9.2325]
_cell_length_b [14.1037]
_cell_length_c [6.5491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4NdAl]
_chemical_formula_sum '[La16 Nd4 Al4]'
_cell_volume [805.4285]
_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  8  0.0988  0.1841  0.5516  1
  La  La1  8  0.2230  0.3882  0.8760  1
  Nd  Nd2  4  0.0000  0.4112  0.2500  1
  Al  Al3  4  0.0000  0.0013  0.2500  1
]