data_[Tl4Te6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1519]
_cell_length_b [6.3449]
_cell_length_c [5.8868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Te3O8]
_chemical_formula_sum '[Tl4 Te6 O16]'
_cell_volume [493.6409]
_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  0.1999  0.5000  0.6827  1.0
  Te  Te1  4  0.0000  0.2533  0.0000  1.0
  Te  Te2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0728  0.2256  0.3912  1.0
  O  O4  4  0.0908  0.5000  0.9972  1.0
  O  O5  4  0.1011  0.0000  0.8264  1.0
]