data_[Pr9Al3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0879]
_cell_length_b [5.0879]
_cell_length_c [24.9206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3AlNi8]
_chemical_formula_sum '[Pr9 Al3 Ni24]'
_cell_volume [558.6925]
_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  0.3773  1.0
  Pr  Pr1  3  0.0000  0.0000  0.5054  1.0
  Pr  Pr2  3  0.0000  0.0000  0.9918  1.0
  Al  Al3  3  0.0000  0.0000  0.8672  1.0
  Ni  Ni4  9  0.0020  0.5010  0.9356  1.0
  Ni  Ni5  9  0.0047  0.5023  0.4413  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1890  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6886  1.0
]