data_Te4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   22.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te4O9
_chemical_formula_sum   'Te8 O18'
_cell_volume   1751.22
_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
  Te  Te0  1  0.33  0.67  0.51  1.0
  Te  Te1  1  0.69  0.07  0.55  1.0
  Te  Te2  1  0.38  0.31  0.55  1.0
  Te  Te3  1  0.93  0.62  0.55  1.0
  Te  Te4  1  0.4  0.05  0.45  1.0
  Te  Te5  1  0.65  0.6  0.45  1.0
  Te  Te6  1  0.95  0.35  0.45  1.0
  Te  Te7  1  0.0  0.0  0.49  1.0
  O  O8  1  0.49  0.84  0.56  1.0
  O  O9  1  0.36  0.51  0.56  1.0
  O  O10  1  0.16  0.64  0.56  1.0
  O  O11  1  0.3  0.81  0.46  1.0
  O  O12  1  0.51  0.7  0.46  1.0
  O  O13  1  0.19  0.49  0.46  1.0
  O  O14  1  0.85  0.82  0.44  1.0
  O  O15  1  0.98  0.15  0.44  1.0
  O  O16  1  0.18  0.02  0.44  1.0
  O  O17  1  0.04  0.85  0.54  1.0
  O  O18  1  0.82  0.96  0.54  1.0
  O  O19  1  0.15  0.18  0.54  1.0
  O  O20  1  0.41  0.11  0.53  1.0
  O  O21  1  0.7  0.59  0.53  1.0
  O  O22  1  0.89  0.3  0.53  1.0
  O  O23  1  0.92  0.56  0.47  1.0
  O  O24  1  0.64  0.08  0.47  1.0
  O  O25  1  0.44  0.36  0.47  1.0

Te Te Te Te Te Te Te Te O O O O O O O O O O O O O O O O O O 0 13 o o o 0 10 o o o 0 11 o o o 0 9 o o o 0 12 o o o 0 8 o o o 1 8 o - o 1 24 o o o 1 18 o - o 1 22 o o o 2 19 o o o 2 9 o o o 2 20 o o o 2 25 o o o 3 21 o o o 3 17 + o o 3 23 o o o 3 10 + o o 4 16 o o o 4 20 o o o 4 11 o - o 4 24 o o o 5 25 o o o 5 12 o o o 5 21 o o o 5 14 o o o 6 22 o o o 6 23 o o o 6 15 o o o 6 13 + o o 7 14 - - o 7 18 - - o 7 15 - o o 7 17 o - o 7 16 o o o 7 19 o o o 
data_Te4O9
_symmetry_space_group_name_H-M   P-3
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   22.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   147
_chemical_formula_structural   Te4O9
_chemical_formula_sum   'Te8 O18'
_cell_volume   1751.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -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  6  0.02  0.73  0.55  1.0
  Te  Te1  2  0.33  0.67  0.49  1.0
  O  O2  6  0.03  0.26  0.53  1.0
  O  O3  6  0.15  0.63  0.54  1.0
  O  O4  6  0.18  0.49  0.44  1.0
