data_[Pr8Al20Ni12]
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 [Cmc2_1]
_cell_length_a [4.2282]
_cell_length_b [25.1771]
_cell_length_c [6.6679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2Al5Ni3]
_chemical_formula_sum '[Pr8 Al20 Ni12]'
_cell_volume [709.8295]
_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  0.1752  0.2213  1
  Pr  Pr1  4  0.0000  0.4780  0.2688  1
  Al  Al2  4  0.0000  0.0577  0.1017  1
  Al  Al3  4  0.0000  0.1304  0.7393  1
  Al  Al4  4  0.0000  0.2868  0.0147  1
  Al  Al5  4  0.0000  0.2923  0.4070  1
  Al  Al6  4  0.0000  0.4002  0.9027  1
  Ni  Ni7  4  0.0000  0.0527  0.4798  1
  Ni  Ni8  4  0.0000  0.2275  0.7101  1
  Ni  Ni9  4  0.0000  0.3904  0.5194  1
]