data_[Cs14Sb2Au4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.6369]
_cell_length_b [31.5691]
_cell_length_c [7.3624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs7Sb(AuI)2]
_chemical_formula_sum '[Cs14 Sb2 Au4 I4]'
_cell_volume [1542.5891]
_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  0.0726  0.5596  1.0
  Cs  Cs1  4  0.0000  0.2735  0.9864  1.0
  Cs  Cs2  4  0.0000  0.4140  0.4922  1.0
  Cs  Cs3  2  0.0000  0.5000  0.8814  1.0
  Sb  Sb4  2  0.0000  0.0000  0.0708  1.0
  Au  Au5  4  0.0000  0.3891  0.9990  1.0
  I  I6  4  0.0000  0.2889  0.4864  1.0
]