data_[Te4O12]
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 [C2/m]
_cell_length_a [5.2429]
_cell_length_b [9.0817]
_cell_length_c [5.5424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TeO3]
_chemical_formula_sum '[Te4 O12]'
_cell_volume [252.0195]
_cell_formula_units_Z [4]
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  4  0.0000  0.3335  0.0000  1.0
  O  O1  8  0.2442  0.6903  0.7909  1.0
  O  O2  4  0.1848  0.5000  0.2094  1.0
]