data_[Pr20Cd8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.1225]
_cell_length_b [7.9721]
_cell_length_c [7.8647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(CdGa)2]
_chemical_formula_sum '[Pr20 Cd8 Ga8]'
_cell_volume [1073.5497]
_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  0.1314  0.1896  0.3181  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  8  0.2216  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.1143  0.6141  1
]