data_[Ba12Ag2Au4I6]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2957]
_cell_length_b [14.3533]
_cell_length_c [9.2954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6AgAu2I3]
_chemical_formula_sum '[Ba12 Ag2 Au4 I6]'
_cell_volume [1056.7942]
_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  8  0.2395  0.1702  0.2078  1.0
  Ba  Ba1  4  0.2288  0.5000  0.2075  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0000  0.3333  0.0000  1.0
  I  I4  4  0.0000  0.1655  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]