data_[Cs12Ag2Au4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.3976]
_cell_length_b [16.2840]
_cell_length_c [9.4339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6AgAu2I3]
_chemical_formula_sum '[Cs12 Ag2 Au4 I6]'
_cell_volume [1361.6153]
_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
[
  Cs  Cs0  8  0.2499  0.3302  0.7596  1
  Cs  Cs1  4  0.2405  0.5000  0.2403  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.3332  0.0000  1
  I  I4  4  0.0000  0.1649  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]