data_[Pr2Pd1Au3]
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 [Pmm2]
_cell_length_a [3.6944]
_cell_length_b [4.8414]
_cell_length_c [7.9746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2PdAu3]
_chemical_formula_sum '[Pr2 Pd1 Au3]'
_cell_volume [142.6336]
_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  0.4946  1
  Pr  Pr1  1  0.0000  0.5000  0.0121  1
  Pd  Pd2  1  0.5000  0.5000  0.3253  1
  Au  Au3  1  0.5000  0.0000  0.1734  1
  Au  Au4  1  0.5000  0.0000  0.8292  1
  Au  Au5  1  0.5000  0.5000  0.6653  1
]