data_Te8Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   95.22
_cell_angle_beta   95.22
_cell_angle_gamma   144.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te8Se
_chemical_formula_sum   'Te8 Se1'
_cell_volume   255.23
_cell_formula_units_Z   1
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  Te1  1  0.53  0.47  0.34  1.0
  Te  Te2  1  0.47  0.53  0.34  1.0
  Te  Te3  1  0.33  0.0  0.0  1.0
  Te  Te4  1  0.53  0.53  0.34  1.0
  Te  Te5  1  0.0  0.33  0.0  1.0
  Te  Te6  1  0.69  0.69  0.0  1.0
  Te  Te7  1  0.12  0.0  0.0  1.0
  Te  Te8  1  0.0  0.12  0.0  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_Te8Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   14.78
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te8Se
_chemical_formula_sum   'Te16 Se2'
_cell_volume   510.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.47  0.66  1.0
  Te  Te1  4  0.33  0.33  0.0  1.0
  Te  Te2  4  0.44  0.44  0.0  1.0
  Te  Te3  2  0.31  0.0  0.0  1.0
  Te  Te4  2  0.47  0.0  0.66  1.0
  Se  Se5  2  0.0  0.0  0.0  1.0

Te Te Te Te Te Te Te Te Se