data_[Pr1Nd3Al4]
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 [Pm]
_cell_length_a [6.0171]
_cell_length_b [5.7353]
_cell_length_c [6.0177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PrNd3Al4]
_chemical_formula_sum '[Pr1 Nd3 Al4]'
_cell_volume [203.9724]
_cell_formula_units_Z [1]
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  1  0.6610  0.0000  0.0201  1
  Nd  Nd1  1  0.0206  0.0000  0.6610  1
  Nd  Nd2  1  0.3387  0.5000  0.9795  1
  Nd  Nd3  1  0.9798  0.5000  0.3394  1
  Al  Al4  2  0.4998  0.2501  0.4999  1
  Al  Al5  1  0.1962  0.0000  0.1968  1
  Al  Al6  1  0.8041  0.5000  0.8034  1
]