data_[Pr6Pd4Au8]
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 [11.2763]
_cell_length_b [4.3571]
_cell_length_c [9.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(PdAu2)2]
_chemical_formula_sum '[Pr6 Pd4 Au8]'
_cell_volume [421.5399]
_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  0.1825  0.5000  0.6371  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.1007  0.5000  0.2581  1
  Au  Au3  4  0.0236  0.0000  0.3674  1
  Au  Au4  4  0.2406  0.5000  0.0876  1
]