data_[Tl1Ag2Te1O6]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5912]
_cell_length_b [5.7578]
_cell_length_c [5.7655]
_cell_angle_alpha [62.6230]
_cell_angle_beta [61.9775]
_cell_angle_gamma [89.8551]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlAg2TeO6]
_chemical_formula_sum '[Tl1 Ag2 Te1 O6]'
_cell_volume [139.9971]
_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  0.7984  0.4045  0.4233  1.0
  Ag  Ag1  1  0.0387  0.0571  0.9505  1.0
  Ag  Ag2  1  0.5486  0.6341  0.9129  1.0
  Te  Te3  1  0.3259  0.9660  0.3535  1.0
  O  O4  1  0.1289  0.2335  0.1784  1.0
  O  O5  1  0.1838  0.7375  0.2494  1.0
  O  O6  1  0.4349  0.2388  0.4309  1.0
  O  O7  1  0.5474  0.7342  0.4786  1.0
  O  O8  1  0.6620  0.1777  0.9273  1.0
  O  O9  1  0.9930  0.8013  0.7721  1.0
]