data_[Ba4Sb2Pd2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  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 [13.6221]
_cell_length_b [5.6371]
_cell_length_c [9.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SbPdAu6]
_chemical_formula_sum '[Ba4 Sb2 Pd2 Au12]'
_cell_volume [531.2586]
_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  0.2374  0.5000  0.7001  1.0
  Sb  Sb1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  8  0.0046  0.2473  0.7511  1.0
  Au  Au4  4  0.2441  0.0000  0.8962  1.0
]