data_[Pr12Pd2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8268]
_cell_length_b [7.6923]
_cell_length_c [12.3611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6PdAu2]
_chemical_formula_sum '[Pr12 Pd2 Au4]'
_cell_volume [563.1308]
_cell_formula_units_Z [2]
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  0.0979  0.1998  0.4335  1.0
  Pr  Pr1  4  0.2672  0.6670  0.4357  1.0
  Pr  Pr2  4  0.3911  0.0378  0.2389  1.0
  Pd  Pd3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.1635  0.1121  0.7289  1.0
]