data_[Pr8Al4Pd4Se20]
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
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0242]
_cell_length_b [18.1906]
_cell_length_c [11.4682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2AlPdSe5]
_chemical_formula_sum '[Pr8 Al4 Pd4 Se20]'
_cell_volume [839.4921]
_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  4  0.0000  0.1054  0.3135  1.0
  Pr  Pr1  4  0.0000  0.1289  0.6874  1.0
  Al  Al2  4  0.0000  0.4079  0.4917  1.0
  Pd  Pd3  4  0.0000  0.1942  0.9750  1.0
  Se  Se4  4  0.0000  0.0271  0.0734  1.0
  Se  Se5  4  0.0000  0.2820  0.3365  1.0
  Se  Se6  4  0.0000  0.3061  0.6466  1.0
  Se  Se7  4  0.0000  0.3558  0.9964  1.0
  Se  Se8  4  0.0000  0.4740  0.3036  1.0
]