data_Si2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   7.08
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Te
_chemical_formula_sum   'Si4 Te2'
_cell_volume   144.01
_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
  Si  Si0  1  0.82  0.37  0.0  1.0
  Si  Si1  1  0.63  0.7  0.0  1.0
  Si  Si2  1  0.55  0.24  0.87  1.0
  Si  Si3  1  0.9  0.84  0.87  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.73  0.54  0.87  1.0

data_Si2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.45
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Te
_chemical_formula_sum   'Si4 Te2'
_cell_volume   144.01
_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
  Si  Si0  1  -0.0  0.82  0.37  1.0
  Si  Si1  1  -0.0  0.63  0.7  1.0
  Si  Si2  1  0.87  0.55  0.24  1.0
  Si  Si3  1  0.87  0.9  0.84  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0
  Te  Te5  1  0.87  0.73  0.54  1.0

Si Si Si Si Te Te
Si Si Si Si Te Te 0 5 o o - 0 2 o o - 1 5 o o - 3 4 + + + 