data_[Pr2Al5Pd5]
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
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2696]
_cell_length_b [5.4165]
_cell_length_c [9.6267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pr2(AlPd)5]
_chemical_formula_sum '[Pr2 Al5 Pd5]'
_cell_volume [222.6299]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  4  0.5000  0.2534  0.2389  1.0
  Al  Al3  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.1887  1.0
  Pd  Pd5  2  0.0000  0.5000  0.3338  1.0
  Pd  Pd6  1  0.5000  0.0000  0.0000  1.0
]