data_TeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   8.76
_cell_angle_alpha   91.85
_cell_angle_beta   91.85
_cell_angle_gamma   38.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeSe2
_chemical_formula_sum   'Te2 Se4'
_cell_volume   183.88
_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  0.89  0.0  0.01  1.0
  Te  Te5  1  0.81  0.0  0.74  1.0
  Se  Se0  1  0.14  0.0  0.12  1.0
  Se  Se1  1  0.56  0.0  0.63  1.0
  Se  Se2  1  0.71  0.0  0.2  1.0
  Se  Se3  1  0.99  0.0  0.55  1.0

data_TeSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.82
_cell_length_b   5.82
_cell_length_c   8.76
_cell_angle_alpha   91.85
_cell_angle_beta   90.0
_cell_angle_gamma   109.16
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeSe2
_chemical_formula_sum   'Te2 Se4'
_cell_volume   183.88
_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  0.0  0.04  0.14  1.0
  Se  Se1  2  0.0  0.14  0.68  1.0
  Se  Se2  2  0.0  0.29  0.24  1.0

Te Te Se Se Se Se