data_[Tl8Ag4Au4I20]
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 [Cmc2_1]
_cell_length_a [4.3660]
_cell_length_b [22.5711]
_cell_length_c [13.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2AgAuI5]
_chemical_formula_sum '[Tl8 Ag4 Au4 I20]'
_cell_volume [1369.9810]
_cell_formula_units_Z [4]
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  0.0000  0.1160  0.3010  1.0
  Tl  Tl1  4  0.0000  0.1307  0.6854  1.0
  Ag  Ag2  4  0.0000  0.2247  0.0251  1.0
  Au  Au3  4  0.0000  0.4313  0.4471  1.0
  I  I4  4  0.0000  0.0301  0.0479  1.0
  I  I5  4  0.0000  0.2892  0.6688  1.0
  I  I6  4  0.0000  0.3144  0.3859  1.0
  I  I7  4  0.0000  0.3527  0.9942  1.0
  I  I8  4  0.0000  0.4906  0.2686  1.0
]