data_[Pr2Al1Ag1Pd6]
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
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0601]
_cell_length_b [6.1631]
_cell_length_c [6.9746]
_cell_angle_alpha [71.2211]
_cell_angle_beta [71.4963]
_cell_angle_gamma [80.9928]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2AlAgPd6]
_chemical_formula_sum '[Pr2 Al1 Ag1 Pd6]'
_cell_volume [194.9251]
_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  2  0.4668  0.6683  0.1836  1
  Al  Al1  1  0.0000  0.0000  0.5000  1
  Ag  Ag2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.0169  0.3536  0.1953  1
  Pd  Pd4  2  0.1500  0.3109  0.5849  1
  Pd  Pd5  2  0.4800  0.8879  0.7145  1
]