data_SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   8.36
_cell_length_c   8.16
_cell_angle_alpha   90.0
_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   535.11
_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  0.68  0.27  0.03  1.0
  Sb  Sb1  1  0.24  0.09  0.11  1.0
  Sb  Sb2  1  0.61  0.27  0.04  1.0
  Sb  Sb3  1  0.16  0.09  0.12  1.0
  Te  Te4  1  0.04  0.27  0.63  1.0
  Te  Te5  1  0.88  0.09  0.55  1.0
  Te  Te6  1  0.96  0.27  0.61  1.0
  Te  Te7  1  0.81  0.09  0.53  1.0
  Te  Te8  1  0.32  0.0  0.69  1.0
  Te  Te9  1  0.45  0.36  0.77  1.0
  Te  Te10  1  0.39  0.18  0.39  1.0
  Te  Te11  1  0.53  0.18  0.47  1.0
  Te  Te12  1  0.53  0.36  0.47  1.0
  Te  Te13  1  0.39  0.0  0.39  1.0
  Te  Te14  1  0.45  0.18  0.77  1.0
  Te  Te15  1  0.32  0.18  0.69  1.0

data_SbTe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.85
_cell_length_b   8.16
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbTe3
_chemical_formula_sum   'Sb4 Te12'
_cell_volume   535.11
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.24  0.54  0.41  1.0
  Sb  Sb1  2  0.32  0.53  0.41  1.0
  Te  Te2  2  0.04  0.03  0.59  1.0
  Te  Te3  2  0.12  0.05  0.59  1.0
  Te  Te4  2  0.39  0.11  0.32  1.0
  Te  Te5  2  0.39  0.11  0.5  1.0
  Te  Te6  2  0.47  0.81  0.5  1.0
  Te  Te7  2  0.47  0.81  0.32  1.0

Sb Sb Sb Sb Te Te Te Te Te Te Te Te Te Te Te Te
Sb Sb Sb Sb Te Te Te Te Te Te Te Te Te Te Te Te 0 2 o o o 1 3 o o o 4 6 - o o 5 7 o o o 8 15 o o o 9 14 o o o 10 13 o o o 10 11 o o o 11 12 o o o 14 15 o o o 