data_SiTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe3
_chemical_formula_sum   'Si6 Te18'
_cell_volume   771.39
_cell_formula_units_Z   6
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  0.0  0.71  1.0
  Si  Si1  1  0.0  0.0  0.12  1.0
  Si  Si2  1  0.53  0.62  0.63  1.0
  Si  Si3  1  0.53  0.62  0.62  1.0
  Si  Si4  1  0.0  0.24  0.22  1.0
  Si  Si5  1  0.0  0.24  0.2  1.0
  Te  Te6  1  0.0  0.5  0.71  1.0
  Te  Te7  1  0.04  0.11  0.71  1.0
  Te  Te8  1  0.96  0.11  0.71  1.0
  Te  Te9  1  0.53  0.36  0.12  1.0
  Te  Te10  1  0.49  0.75  0.12  1.0
  Te  Te11  1  0.58  0.75  0.12  1.0
  Te  Te12  1  0.53  0.46  0.6  1.0
  Te  Te13  1  0.08  0.2  0.6  1.0
  Te  Te14  1  0.99  0.2  0.6  1.0
  Te  Te15  1  0.53  0.46  0.82  1.0
  Te  Te16  1  0.08  0.2  0.82  1.0
  Te  Te17  1  0.99  0.2  0.82  1.0
  Te  Te18  1  0.0  0.4  0.23  1.0
  Te  Te19  1  0.46  0.65  0.23  1.0
  Te  Te20  1  0.54  0.65  0.23  1.0
  Te  Te21  1  0.0  0.4  0.01  1.0
  Te  Te22  1  0.46  0.65  0.01  1.0
  Te  Te23  1  0.54  0.65  0.01  1.0

data_SiTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   10.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe3
_chemical_formula_sum   'Si6 Te18'
_cell_volume   771.39
_cell_formula_units_Z   6
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  0.0  0.12  1.0
  Si  Si1  1  0.0  0.0  0.71  1.0
  Si  Si2  1  0.0  0.24  0.2  1.0
  Si  Si3  1  0.0  0.24  0.22  1.0
  Si  Si4  1  0.53  0.62  0.62  1.0
  Si  Si5  1  0.53  0.62  0.63  1.0
  Te  Te6  1  0.0  0.4  0.01  1.0
  Te  Te7  1  0.0  0.4  0.23  1.0
  Te  Te8  1  0.0  0.5  0.71  1.0
  Te  Te9  1  0.04  0.11  0.71  1.0
  Te  Te10  1  0.08  0.2  0.6  1.0
  Te  Te11  1  0.08  0.2  0.82  1.0
  Te  Te12  1  0.46  0.65  0.01  1.0
  Te  Te13  1  0.46  0.65  0.23  1.0
  Te  Te14  1  0.49  0.75  0.12  1.0
  Te  Te15  1  0.53  0.36  0.12  1.0
  Te  Te16  1  0.53  0.46  0.6  1.0
  Te  Te17  1  0.53  0.46  0.82  1.0
  Te  Te18  1  0.54  0.65  0.01  1.0
  Te  Te19  1  0.54  0.65  0.23  1.0
  Te  Te20  1  0.58  0.75  0.12  1.0
  Te  Te21  1  0.96  0.11  0.71  1.0
  Te  Te22  1  0.99  0.2  0.6  1.0
  Te  Te23  1  0.99  0.2  0.82  1.0

Si Si Si Si Si Si Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te