data_Te3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   8.51
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Se
_chemical_formula_sum   'Te6 Se2'
_cell_volume   256.61
_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  Te2  1  0.07  0.0  0.69  1.0
  Te  Te3  1  0.0  0.26  0.59  1.0
  Te  Te4  1  0.0  0.14  0.0  1.0
  Te  Te5  1  0.0  0.37  0.0  1.0
  Te  Te6  1  0.07  0.4  0.27  1.0
  Te  Te7  1  0.07  0.12  0.27  1.0
  Se  Se0  1  0.0  0.0  0.45  1.0
  Se  Se1  1  0.07  0.26  0.82  1.0

data_Te3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   7.28
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Se
_chemical_formula_sum   'Te6 Se2'
_cell_volume   256.61
_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  0.0  0.41  0.74  1.0
  Te  Te1  1  0.0  1.0  0.63  1.0
  Te  Te2  1  0.0  1.0  0.86  1.0
  Te  Te3  1  0.93  0.31  0.0  1.0
  Te  Te4  1  0.93  0.73  0.6  1.0
  Te  Te5  1  0.93  0.73  0.88  1.0
  Se  Se6  1  0.0  0.55  0.0  1.0
  Se  Se7  1  0.93  0.18  0.74  1.0

Te Te Te Te Te Te Se Se