data_[Ba12Hg4Pd2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  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 [8.1562]
_cell_length_b [9.0020]
_cell_length_c [14.5154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Hg2PdAu]
_chemical_formula_sum '[Ba12 Hg4 Pd2 Au2]'
_cell_volume [888.1934]
_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  0.1046  0.5365  0.2453  1.0
  Ba  Ba1  4  0.2360  0.1889  0.0681  1.0
  Ba  Ba2  4  0.3860  0.6792  0.0661  1.0
  Hg  Hg3  4  0.3051  0.6117  0.7522  1.0
  Pd  Pd4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.5000  0.0000  0.0000  1.0
]