data_[Pr6Y8Al8]
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 [Immm]
_cell_length_a [5.1661]
_cell_length_b [7.1639]
_cell_length_c [16.9868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(YAl)4]
_chemical_formula_sum '[Pr6 Y8 Al8]'
_cell_volume [628.6724]
_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  0.0000  0.0000  0.1057  1
  Pr  Pr1  2  0.0000  0.5000  0.0000  1
  Y  Y2  8  0.0000  0.2281  0.3222  1
  Al  Al3  4  0.0000  0.3104  0.5000  1
  Al  Al4  4  0.0000  0.5000  0.1835  1
]