data_[Ba12Ag4Pd2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  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 [8.0402]
_cell_length_b [8.9255]
_cell_length_c [14.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ag2PdAu]
_chemical_formula_sum '[Ba12 Ag4 Pd2 Au2]'
_cell_volume [864.1684]
_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
[
  Ba  Ba0  4  0.0985  0.5420  0.2457  1.0
  Ba  Ba1  4  0.2361  0.1857  0.0691  1.0
  Ba  Ba2  4  0.3893  0.6759  0.0669  1.0
  Ag  Ag3  4  0.3060  0.6112  0.7539  1.0
  Pd  Pd4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.5000  0.0000  0.0000  1.0
]