data_[Cs12Au4I2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6935]
_cell_length_b [9.3646]
_cell_length_c [15.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6Au2IO]
_chemical_formula_sum '[Cs12 Au4 I2 O2]'
_cell_volume [1019.0036]
_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  0.0796  0.5560  0.2123  1.0
  Cs  Cs1  4  0.2253  0.2263  0.0760  1.0
  Cs  Cs2  4  0.3304  0.6583  0.0589  1.0
  Au  Au3  4  0.2859  0.5857  0.7527  1.0
  I  I4  2  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.5000  1.0
]