data_Te(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   5.26
_cell_length_c   24.19
_cell_angle_alpha   93.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te(HO2)2
_chemical_formula_sum   'Te2 H4 O8'
_cell_volume   622.38
_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  0.25  0.47  0.09  1.0
  Te  Te1  1  0.75  0.97  0.09  1.0
  H  H2  1  0.04  0.68  0.17  1.0
  H  H3  1  0.48  0.57  0.0  1.0
  H  H4  1  0.52  0.07  0.0  1.0
  H  H5  1  0.96  0.18  0.17  1.0
  O  O6  1  0.1  0.5  0.16  1.0
  O  O7  1  0.4  0.41  0.01  1.0
  O  O8  1  0.94  0.27  0.06  1.0
  O  O9  1  0.43  0.17  0.11  1.0
  O  O10  1  0.57  0.67  0.11  1.0
  O  O11  1  0.06  0.77  0.06  1.0
  O  O12  1  0.6  0.91  0.01  1.0
  O  O13  1  0.9  0.0  0.16  1.0

Te Te H H H H O O O O O O O O 0 8 - o o 0 11 o o o 0 6 o o o 0 7 o o o 0 9 o o o 0 10 o o o 1 12 o o o 1 10 o o o 1 9 o + o 1 11 + o o 1 8 o + o 1 13 o + o 2 6 o o o 3 7 o o o 4 12 o - o 5 13 o o o 
data_Te(HO2)2
_symmetry_space_group_name_H-M   Pc
_cell_length_a   24.19
_cell_length_b   4.9
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   93.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   7
_chemical_formula_structural   Te(HO2)2
_chemical_formula_sum   'Te2 H4 O8'
_cell_volume   622.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, 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  2  0.09  0.25  0.47  1.0
  H  H1  2  0.0  0.48  0.57  1.0
  H  H2  2  0.17  0.04  0.68  1.0
  O  O3  2  0.01  0.4  0.41  1.0
  O  O4  2  0.06  0.06  0.77  1.0
  O  O5  2  0.11  0.43  0.17  1.0
  O  O6  2  0.16  0.1  0.5  1.0
