data_Sb3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   144.9
_cell_angle_beta   134.89
_cell_angle_gamma   58.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Te
_chemical_formula_sum   'Sb3 Te1'
_cell_volume   114.36
_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  0.98  0.0  0.48  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.52  0.25  1.0
  Te  Te3  1  0.0  0.0  0.73  1.0

data_Sb3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.04
_cell_length_c   6.57
_cell_angle_alpha   112.55
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Te
_chemical_formula_sum   'Sb3 Te1'
_cell_volume   114.36
_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
  Sb  Sb1  1  0.0  0.48  0.5  1.0
  Sb  Sb2  1  0.48  0.73  0.73  1.0
  Te  Te3  1  0.0  0.73  0.73  1.0

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