data_[Pr8Pd4Au8]
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 [C2/m]
_cell_length_a [10.8473]
_cell_length_b [4.1344]
_cell_length_c [11.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2PdAu2]
_chemical_formula_sum '[Pr8 Pd4 Au8]'
_cell_volume [492.4384]
_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  0.0082  0.0000  0.3406  1.0
  Pr  Pr1  4  0.1835  0.0000  0.1145  1.0
  Pd  Pd2  4  0.2017  0.5000  0.3091  1.0
  Au  Au3  4  0.0405  0.5000  0.8899  1.0
  Au  Au4  4  0.1480  0.5000  0.5503  1.0
]