data_SbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   117.05
_cell_angle_beta   117.05
_cell_angle_gamma   117.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe3
_chemical_formula_sum   'Sb1 Te3'
_cell_volume   112.55
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.29  0.43  0.1  1.0
  Te  Te2  1  0.71  0.43  0.1  1.0
  Te  Te3  1  0.0  0.13  0.1  1.0

data_SbTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   117.05
_cell_angle_beta   100.0
_cell_angle_gamma   100.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe3
_chemical_formula_sum   'Sb1 Te3'
_cell_volume   112.55
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.1  0.1  0.97  1.0
  Te  Te2  1  0.1  0.39  0.67  1.0
  Te  Te3  1  0.1  0.82  0.67  1.0

Sb Te Te Te
Sb Te Te Te 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 1 2 - o o 2 2 + + + 2 3 + o o 