data_[Pr4Nd16Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [9.0716]
_cell_length_b [14.1743]
_cell_length_c [6.4574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrNd4Al]
_chemical_formula_sum '[Pr4 Nd16 Al4]'
_cell_volume [783.0562]
_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
[
  Pr  Pr0  4  0.0000  0.4050  0.7500  1.0
  Nd  Nd1  8  0.1011  0.1813  0.0500  1.0
  Nd  Nd2  8  0.2219  0.3901  0.3721  1.0
  Al  Al3  4  0.0000  0.0001  0.7500  1.0
]