data_[Pr16Al2Ni4]
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 [C2/m]
_cell_length_a [9.0407]
_cell_length_b [13.7992]
_cell_length_c [5.3541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8AlNi2]
_chemical_formula_sum '[Pr16 Al2 Ni4]'
_cell_volume [648.4042]
_cell_formula_units_Z [2]
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  8  0.1935  0.1208  0.5687  1
  Pr  Pr1  4  0.0000  0.2451  0.0000  1
  Pr  Pr2  4  0.1170  0.5000  0.8117  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  4  0.0000  0.3175  0.5000  1
]