data_[Te8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [5.4717]
_cell_length_b [6.7579]
_cell_length_c [9.2511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [TeO2]
_chemical_formula_sum '[Te8 O16]'
_cell_volume [342.0774]
_cell_formula_units_Z [8]
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
[
  Te  Te0  8  0.2252  0.2653  0.8877  1
  O  O1  8  0.0558  0.1422  0.1060  1
  O  O2  4  0.0000  0.4105  0.7500  1
  O  O3  4  0.1192  0.5000  0.0000  1
]