data_[Tl2Ag1I1O6]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8129]
_cell_length_b [5.9684]
_cell_length_c [6.0839]
_cell_angle_alpha [96.8818]
_cell_angle_beta [113.3897]
_cell_angle_gamma [117.5993]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2AgIO6]
_chemical_formula_sum '[Tl2 Ag1 I1 O6]'
_cell_volume [159.2641]
_cell_formula_units_Z [1]
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  1  0.0060  0.0025  0.0208  1.0
  Tl  Tl1  1  0.1111  0.5378  0.6274  1.0
  Ag  Ag2  1  0.5505  0.7938  0.3613  1.0
  I  I3  1  0.6393  0.3317  0.9847  1.0
  O  O4  1  0.0519  0.3763  0.2387  1.0
  O  O5  1  0.2186  0.2564  0.7975  1.0
  O  O6  1  0.5107  0.1620  0.2033  1.0
  O  O7  1  0.5473  0.9119  0.7421  1.0
  O  O8  1  0.8156  0.6908  0.2177  1.0
  O  O9  1  0.8721  0.5985  0.7915  1.0
]