data_[Pd6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9193]
_cell_length_b [4.7325]
_cell_length_c [7.5234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pd3Au2]
_chemical_formula_sum '[Pd6 Au4]'
_cell_volume [165.5961]
_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
[
  Pd  Pd0  2  0.2331  0.7500  0.2991  1.0
  Pd  Pd1  2  0.3722  0.2500  0.9020  1.0
  Pd  Pd2  2  0.4342  0.7500  0.7016  1.0
  Au  Au3  2  0.0337  0.7500  0.8990  1.0
  Au  Au4  2  0.1732  0.2500  0.5043  1.0
]