data_TeSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   126.87
_cell_angle_beta   64.66
_cell_angle_gamma   145.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeSeO4
_chemical_formula_sum   'Te2 Se2 O8'
_cell_volume   199.16
_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  0.71  0.83  0.29  1.0
  Te  Te1  1  0.71  0.64  0.05  1.0
  Se  Se2  1  0.29  0.86  0.15  1.0
  Se  Se3  1  0.71  0.08  0.15  1.0
  O  O4  1  0.71  0.61  0.56  1.0
  O  O5  1  0.57  0.82  0.22  1.0
  O  O6  1  0.29  0.55  0.44  1.0
  O  O7  1  0.99  0.18  0.22  1.0
  O  O8  1  0.71  0.86  0.81  1.0
  O  O9  1  0.86  0.65  0.97  1.0
  O  O10  1  0.71  0.39  0.44  1.0
  O  O11  1  0.43  0.3  0.97  1.0

data_TeSeO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   6.85
_cell_length_c   7.66
_cell_angle_alpha   116.57
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeSeO4
_chemical_formula_sum   'Te2 Se2 O8'
_cell_volume   199.16
_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  0.4  0.07  0.12  1.0
  Te  Te1  1  0.46  0.88  0.18  1.0
  Se  Se2  1  0.06  0.63  0.78  1.0
  Se  Se3  1  0.28  0.43  0.57  1.0
  O  O4  1  0.04  0.82  0.03  1.0
  O  O5  1  0.05  0.32  0.77  1.0
  O  O6  1  0.32  0.21  0.18  1.0
  O  O7  1  0.39  0.75  0.96  1.0
  O  O8  1  0.68  0.14  0.11  1.0
  O  O9  1  0.89  0.73  0.18  1.0
  O  O10  1  0.94  0.85  0.66  1.0
  O  O11  1  0.95  0.1  0.66  1.0

Te Te Se Se O O O O O O O O