data_[Cs6Au4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9599]
_cell_length_b [29.5444]
_cell_length_c [5.8619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs3Au2I7]
_chemical_formula_sum '[Cs6 Au4 I14]'
_cell_volume [1032.1795]
_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  4  0.0000  0.3188  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Au  Au2  4  0.0000  0.0980  0.0000  1.0
  I  I3  4  0.0000  0.0942  0.5000  1.0
  I  I4  4  0.0000  0.1949  0.0000  1.0
  I  I5  4  0.0000  0.4062  0.0000  1.0
  I  I6  2  0.0000  0.0000  0.0000  1.0
]