data_[Pr20Al8Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1275]
_cell_length_b [8.0708]
_cell_length_c [8.0156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(AlGa)2]
_chemical_formula_sum '[Pr20 Al8 Ga8]'
_cell_volume [1043.3249]
_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  16  0.1432  0.1875  0.3233  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.1135  0.6141  1
  Ga  Ga3  8  0.2100  0.0000  0.0000  1
]