data_[Cs4Tl2Au4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3949]
_cell_length_b [7.8474]
_cell_length_c [10.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl(AuI3)2]
_chemical_formula_sum '[Cs4 Tl2 Au4 I12]'
_cell_volume [1109.8672]
_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  0.2037  0.5000  0.2176  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Au  Au2  4  0.0541  0.0000  0.2502  1.0
  I  I3  8  0.0715  0.2659  0.8241  1.0
  I  I4  4  0.2485  0.0000  0.3720  1.0
]