data_[Ba4Pd2Pt2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3835]
_cell_length_b [5.6001]
_cell_length_c [9.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2PdPtAu6]
_chemical_formula_sum '[Ba4 Pd2 Pt2 Au12]'
_cell_volume [504.0753]
_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  0.0417  0.5000  0.2899  1
  Pd  Pd1  2  0.0000  0.0000  0.5000  1
  Pt  Pt2  2  0.0000  0.0000  0.0000  1
  Au  Au3  8  0.2492  0.2506  0.2379  1
  Au  Au4  4  0.1393  0.0000  0.8884  1
]