data_Si7Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.68
_cell_length_b   10.68
_cell_length_c   10.68
_cell_angle_alpha   32.5
_cell_angle_beta   32.5
_cell_angle_gamma   32.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7Te6
_chemical_formula_sum   'Si7 Te6'
_cell_volume   313.04
_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  Si0  1  0.28  0.0  0.48  1.0
  Si  Si1  1  0.0  0.99  0.48  1.0
  Si  Si2  1  0.72  0.0  0.48  1.0
  Si  Si3  1  0.72  1.0  0.85  1.0
  Si  Si4  1  0.28  1.0  0.85  1.0
  Si  Si5  1  0.0  0.01  0.85  1.0
  Si  Si6  1  0.0  0.0  0.0  1.0
  Te  Te7  1  0.0  0.0  0.11  1.0
  Te  Te8  1  0.0  0.0  0.22  1.0
  Te  Te9  1  0.0  0.0  0.68  1.0
  Te  Te10  1  0.0  0.0  0.65  1.0
  Te  Te11  1  0.0  0.0  0.88  1.0
  Te  Te12  1  0.0  0.0  0.45  1.0

data_Si7Te6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   10.68
_cell_angle_alpha   73.75
_cell_angle_beta   73.75
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7Te6
_chemical_formula_sum   'Si7 Te6'
_cell_volume   313.04
_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  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.15  0.12  1.0
  Si  Si2  1  0.0  0.15  0.57  1.0
  Si  Si3  1  0.01  0.52  0.47  1.0
  Si  Si4  1  0.99  0.15  0.86  1.0
  Si  Si5  1  1.0  0.52  0.21  1.0
  Si  Si6  1  1.0  0.52  0.77  1.0
  Te  Te7  1  0.0  0.12  0.88  1.0
  Te  Te8  1  0.0  0.32  0.68  1.0
  Te  Te9  1  0.0  0.35  0.65  1.0
  Te  Te10  1  0.0  0.55  0.45  1.0
  Te  Te11  1  0.0  0.78  0.22  1.0
  Te  Te12  1  0.0  0.89  0.11  1.0

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