data_TeSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   4.48
_cell_angle_alpha   106.93
_cell_angle_beta   106.93
_cell_angle_gamma   115.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeSeO4
_chemical_formula_sum   'Te2 Se2 O8'
_cell_volume   197.15
_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  0.43  0.97  0.97  1.0
  Te  Te1  1  0.22  0.03  0.85  1.0
  Se  Se2  1  0.86  0.4  0.91  1.0
  Se  Se3  1  0.08  0.6  0.03  1.0
  O  O4  1  0.45  0.18  0.42  1.0
  O  O5  1  0.37  0.43  0.48  1.0
  O  O6  1  0.63  0.72  0.17  1.0
  O  O7  1  0.59  0.57  0.6  1.0
  O  O8  1  0.2  0.34  0.13  1.0
  O  O9  1  0.85  0.28  0.29  1.0
  O  O10  1  0.41  0.66  0.25  1.0
  O  O11  1  0.67  0.82  0.55  1.0

data_TeSeO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   6.85
_cell_length_c   7.62
_cell_angle_alpha   116.59
_cell_angle_beta   106.93
_cell_angle_gamma   90.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeSeO4
_chemical_formula_sum   'Te2 Se2 O8'
_cell_volume   197.15
_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  0.82  0.97  0.19  1.0
  Te  Te1  1  1.0  0.03  0.46  1.0
  Se  Se2  1  0.43  0.4  0.48  1.0
  Se  Se3  1  0.51  0.6  0.46  1.0
  O  O4  1  0.01  0.72  0.57  1.0
  O  O5  1  0.03  0.43  0.01  1.0
  O  O6  1  0.05  0.57  0.94  1.0
  O  O7  1  0.24  0.82  0.27  1.0
  O  O8  1  0.45  0.28  0.92  1.0
  O  O9  1  0.58  0.34  0.75  1.0
  O  O10  1  0.73  0.18  0.85  1.0
  O  O11  1  0.79  0.66  0.86  1.0

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