data_[Cs12H4Au4I4]
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 [Cmcm]
_cell_length_a [5.2440]
_cell_length_b [17.0875]
_cell_length_c [14.0169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3HAuI]
_chemical_formula_sum '[Cs12 H4 Au4 I4]'
_cell_volume [1256.0071]
_cell_formula_units_Z [4]
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  0.0000  0.3704  0.5902  1.0
  Cs  Cs1  4  0.0000  0.0674  0.7500  1.0
  H  H2  4  0.0000  0.4744  0.7500  1.0
  Au  Au3  4  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.2496  0.2500  1.0
]