data_SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   44.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe
_chemical_formula_sum   'Sb6 Te6'
_cell_volume   725.34
_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
  Sb  Sb0  1  0.0  0.0  0.07  1.0
  Sb  Sb1  1  0.67  0.33  0.16  1.0
  Sb  Sb2  1  0.33  0.67  0.26  1.0
  Sb  Sb3  1  0.67  0.33  0.29  1.0
  Sb  Sb4  1  0.33  0.67  0.39  1.0
  Sb  Sb5  1  0.0  0.0  0.48  1.0
  Te  Te6  1  0.67  0.33  0.03  1.0
  Te  Te7  1  0.33  0.67  0.12  1.0
  Te  Te8  1  0.0  0.0  0.2  1.0
  Te  Te9  1  0.0  0.0  0.35  1.0
  Te  Te10  1  0.67  0.33  0.43  1.0
  Te  Te11  1  0.33  0.67  0.52  1.0

Sb Sb Sb Sb Sb Sb Te Te Te Te Te Te 0 7 - - o 0 7 o - o 0 7 o o o 0 6 - o o 0 6 - - o 0 6 o o o 1 8 o o o 1 8 + o o 1 8 + + o 1 7 o o o 1 7 o - o 1 7 + o o 2 3 - o o 2 3 o o o 2 3 o + o 2 8 + + o 2 8 o + o 2 8 o o o 3 9 + o o 3 9 + + o 3 9 o o o 4 10 - o o 4 10 o o o 4 10 o + o 4 9 o + o 4 9 o o o 4 9 + + o 5 11 - - o 5 11 o - o 5 11 o o o 5 10 - o o 5 10 - - o 5 10 o o o 
data_SbTe
_symmetry_space_group_name_H-M   P-3m1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   44.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   164
_chemical_formula_structural   SbTe
_chemical_formula_sum   'Sb6 Te6'
_cell_volume   725.34
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, 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
  Sb  Sb0  2  0.0  0.0  0.2  1.0
  Sb  Sb1  2  0.33  0.67  0.98  1.0
  Sb  Sb2  2  0.33  0.67  0.11  1.0
  Te  Te3  2  0.0  0.0  0.08  1.0
  Te  Te4  2  0.33  0.67  0.84  1.0
  Te  Te5  2  0.33  0.67  0.24  1.0
