data_[Tl4Ag4Au2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [16.7593]
_cell_length_b [7.9735]
_cell_length_c [7.1706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ag2AuI6]
_chemical_formula_sum '[Tl4 Ag4 Au2 I12]'
_cell_volume [900.3028]
_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
[
  Tl  Tl0  4  0.2448  0.5000  0.1924  1.0
  Ag  Ag1  4  0.0441  0.0000  0.2233  1.0
  Au  Au2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0725  0.2590  0.7869  1.0
  I  I4  4  0.2147  0.0000  0.3079  1.0
]