data_Si(SbTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   122.8
_cell_angle_beta   122.8
_cell_angle_gamma   85.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si(SbTe)2
_chemical_formula_sum   'Si1 Sb2 Te2'
_cell_volume   160.51
_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
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.0  0.97  0.28  1.0
  Sb  Sb1  1  0.97  0.0  0.28  1.0
  Te  Te3  1  0.0  0.0  0.19  1.0
  Te  Te4  1  0.0  0.0  0.93  1.0

data_Si(SbTe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   132.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si(SbTe)2
_chemical_formula_sum   'Si2 Sb4 Te4'
_cell_volume   321.03
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.2  0.48  0.69  1.0
  Te  Te2  2  0.07  0.0  0.07  1.0
  Te  Te3  2  0.31  0.5  0.81  1.0

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