data_[Cs10Au2I16]
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 [I-4]
_cell_length_a [11.2576]
_cell_length_b [11.2576]
_cell_length_c [12.6164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cs5AuI8]
_chemical_formula_sum '[Cs10 Au2 I16]'
_cell_volume [1598.9208]
_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  0.1358  0.7147  0.1039  1
  Cs  Cs1  2  0.0000  0.0000  0.5000  1
  Au  Au2  2  0.0000  0.5000  0.7500  1
  I  I3  8  0.0394  0.7338  0.7698  1
  I  I4  8  0.1144  0.6945  0.4075  1
]