data_[Tl2Ag1I1O8]
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 [P-1]
_cell_length_a [4.9534]
_cell_length_b [5.0500]
_cell_length_c [6.8122]
_cell_angle_alpha [87.5384]
_cell_angle_beta [85.1924]
_cell_angle_gamma [84.5664]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2AgIO8]
_chemical_formula_sum '[Tl2 Ag1 I1 O8]'
_cell_volume [168.9408]
_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  2  0.4945  0.4812  0.2514  1.0
  Ag  Ag1  1  0.0000  0.0000  0.5000  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1727  0.1259  0.2248  1.0
  O  O4  2  0.2382  0.6682  0.0066  1.0
  O  O5  2  0.2496  0.1434  0.8176  1.0
  O  O6  2  0.2549  0.6608  0.5029  1.0
]