data_TeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.71
_cell_length_c   24.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeO2
_chemical_formula_sum   'Te4 O8'
_cell_volume   714.15
_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  Te8  1  0.52  0.13  0.03  1.0
  Te  Te9  1  0.98  0.63  0.03  1.0
  Te  Te10  1  0.48  0.87  0.15  1.0
  Te  Te11  1  0.02  0.37  0.15  1.0
  O  O0  1  0.69  0.44  0.0  1.0
  O  O1  1  0.81  0.94  0.0  1.0
  O  O2  1  0.65  0.17  0.1  1.0
  O  O3  1  0.35  0.83  0.07  1.0
  O  O4  1  0.15  0.33  0.07  1.0
  O  O5  1  0.85  0.67  0.1  1.0
  O  O6  1  0.19  0.06  0.17  1.0
  O  O7  1  0.31  0.56  0.17  1.0

Te Te Te Te O O O O O O O O 0 7 o - o 0 5 o - o 0 4 o o o 0 6 o o o 1 4 o o o 1 5 o o o 1 9 o o o 1 8 + o o 2 7 o o o 2 11 o o o 2 10 o + o 2 6 o + o 3 9 - o o 3 8 o o o 3 10 o o o 3 11 o o o 
data_TeO2
_symmetry_space_group_name_H-M   P2_1/c
_cell_length_a   24.13
_cell_length_b   5.18
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   14
_chemical_formula_structural   TeO2
_chemical_formula_sum   'Te4 O8'
_cell_volume   714.15
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z+1/2'
  4  'x, -y+1/2, z+1/2'
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  0.06  0.02  0.37  1.0
  O  O1  4  0.02  0.65  0.17  1.0
  O  O2  4  0.08  0.19  0.06  1.0
