data_[Pr3Nd9Al24]
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 [R3m]
_cell_length_a [5.6774]
_cell_length_b [5.6774]
_cell_length_c [28.0443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrNd3Al8]
_chemical_formula_sum '[Pr3 Nd9 Al24]'
_cell_volume [782.8297]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8748  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0001  1.0
  Nd  Nd2  3  0.0000  0.0000  0.3750  1.0
  Nd  Nd3  3  0.0000  0.0000  0.5001  1.0
  Al  Al4  9  0.0001  0.5001  0.9377  1.0
  Al  Al5  9  0.1668  0.3336  0.7706  1.0
  Al  Al6  3  0.0000  0.0000  0.1874  1.0
  Al  Al7  3  0.0000  0.0000  0.6875  1.0
]