data_[Pr20Al8Ga4]
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 [I4/mcm]
_cell_length_a [8.0060]
_cell_length_b [8.0060]
_cell_length_c [14.7946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr5Al2Ga]
_chemical_formula_sum '[Pr20 Al8 Ga4]'
_cell_volume [948.2894]
_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  0.1741  0.3259  0.6508  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.1158  0.6158  0.5000  1.0
  Ga  Ga3  4  0.0000  0.0000  0.2500  1.0
]