data_[Cs12H2Au4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  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 [9.1934]
_cell_length_b [15.9041]
_cell_length_c [9.2272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6HAu2I3]
_chemical_formula_sum '[Cs12 H2 Au4 I6]'
_cell_volume [1272.2048]
_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  0.2336  0.1581  0.2266  1.0
  Cs  Cs1  4  0.2392  0.0000  0.7716  1.0
  H  H2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0000  0.3343  0.0000  1.0
  I  I4  4  0.0000  0.1715  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]