data_[Cs2Ba2Au2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7011]
_cell_length_b [8.3827]
_cell_length_c [10.7396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaAuI4]
_chemical_formula_sum '[Cs2 Ba2 Au2 I8]'
_cell_volume [647.8300]
_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  2  0.2115  0.2500  0.0503  1.0
  Ba  Ba1  2  0.2381  0.2500  0.5591  1.0
  Au  Au2  2  0.2439  0.7500  0.3224  1.0
  I  I3  4  0.0269  0.5098  0.7202  1.0
  I  I4  2  0.3923  0.7500  0.1266  1.0
  I  I5  2  0.4366  0.7500  0.5941  1.0
]