data_[Cs8H2Au2I2]
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 [I4mm]
_cell_length_a [5.8425]
_cell_length_b [5.8425]
_cell_length_c [20.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs4HAuI]
_chemical_formula_sum '[Cs8 H2 Au2 I2]'
_cell_volume [688.2807]
_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  0.5000  0.0106  1.0
  Cs  Cs1  2  0.0000  0.0000  0.1800  1.0
  Cs  Cs2  2  0.0000  0.0000  0.8214  1.0
  H  H3  2  0.0000  0.0000  0.9756  1.0
  Au  Au4  2  0.0000  0.0000  0.6304  1.0
  I  I5  2  0.0000  0.0000  0.3714  1.0
]