data_[Pr4Y16Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3550]
_cell_length_b [6.7877]
_cell_length_c [5.8447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y8Al]
_chemical_formula_sum '[Pr4 Y16 Al2]'
_cell_volume [727.1231]
_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  4  0.2229  0.5000  0.2588  1
  Y  Y1  8  0.1163  0.2549  0.7381  1
  Y  Y2  4  0.0525  0.5000  0.2243  1
  Y  Y3  4  0.1656  0.0000  0.2246  1
  Al  Al4  2  0.0000  0.0000  0.0000  1
]