data_TeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.5
_cell_length_b   11.5
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   161.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeSe2
_chemical_formula_sum   'Te2 Se4'
_cell_volume   165.33
_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  Te4  1  0.88  0.91  0.97  1.0
  Te  Te5  1  0.88  0.09  0.91  1.0
  Se  Se0  1  0.88  0.59  0.97  1.0
  Se  Se1  1  0.88  0.41  0.91  1.0
  Se  Se2  1  0.88  0.07  0.97  1.0
  Se  Se3  1  0.88  0.93  0.91  1.0

data_TeSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.76
_cell_length_b   3.88
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeSe2
_chemical_formula_sum   'Te2 Se4'
_cell_volume   165.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.03  0.09  1.0
  Se  Se1  2  0.07  0.97  0.07  1.0
  Se  Se2  2  0.41  0.03  0.41  1.0

Te Te Se Se Se Se