data_SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe3
_chemical_formula_sum   'Sb4 Te12'
_cell_volume   508.9
_cell_formula_units_Z   4
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  0.18  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.19  0.42  0.27  1.0
  Sb  Sb3  1  0.0  0.84  0.09  1.0
  Te  Te4  1  0.9  0.63  0.18  1.0
  Te  Te5  1  0.9  0.63  0.0  1.0
  Te  Te6  1  0.1  0.63  0.18  1.0
  Te  Te7  1  0.19  0.0  0.18  1.0
  Te  Te8  1  0.19  0.0  0.0  1.0
  Te  Te9  1  0.1  0.63  0.0  1.0
  Te  Te10  1  0.14  0.08  0.27  1.0
  Te  Te11  1  0.05  0.19  0.09  1.0
  Te  Te12  1  0.86  0.08  0.27  1.0
  Te  Te13  1  0.0  0.37  0.27  1.0
  Te  Te14  1  0.19  0.89  0.09  1.0
  Te  Te15  1  0.33  0.19  0.09  1.0

data_SbTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.35
_cell_length_b   8.39
_cell_length_c   8.39
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe3
_chemical_formula_sum   'Sb4 Te12'
_cell_volume   508.9
_cell_formula_units_Z   4
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  0.0  1.0
  Sb  Sb1  1  0.09  0.0  0.84  1.0
  Sb  Sb2  1  0.18  0.0  0.0  1.0
  Sb  Sb3  1  0.27  0.19  0.42  1.0
  Te  Te4  1  0.0  0.1  0.63  1.0
  Te  Te5  1  0.0  0.19  0.0  1.0
  Te  Te6  1  0.0  0.9  0.63  1.0
  Te  Te7  1  0.09  0.05  0.19  1.0
  Te  Te8  1  0.09  0.19  0.89  1.0
  Te  Te9  1  0.09  0.33  0.19  1.0
  Te  Te10  1  0.18  0.1  0.63  1.0
  Te  Te11  1  0.18  0.19  0.0  1.0
  Te  Te12  1  0.18  0.9  0.63  1.0
  Te  Te13  1  0.27  0.0  0.37  1.0
  Te  Te14  1  0.27  0.14  0.08  1.0
  Te  Te15  1  0.27  0.86  0.08  1.0

Sb Sb Sb Sb Te Te Te Te Te Te Te Te Te Te Te Te