data_BiSbTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67
_cell_length_b   10.67
_cell_length_c   10.67
_cell_angle_alpha   23.72
_cell_angle_beta   23.72
_cell_angle_gamma   23.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiSbTe3
_chemical_formula_sum   'Bi1 Sb1 Te3'
_cell_volume   172.85
_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
  Bi  Bi0  1  0.0  0.0  0.39  1.0
  Sb  Sb1  1  0.0  0.0  0.71  1.0
  Te  Te2  1  0.0  0.0  0.04  1.0
  Te  Te3  1  0.0  0.0  0.51  1.0
  Te  Te4  1  0.0  0.0  0.67  1.0

data_BiSbTe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.6
_cell_length_b   4.39
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   103.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiSbTe3
_chemical_formula_sum   'Bi2 Sb2 Te6'
_cell_volume   345.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Bi  Bi0  2  0.0  0.0  0.61  1.0
  Sb  Sb1  2  0.0  0.0  0.29  1.0
  Te  Te2  2  0.0  0.0  0.33  1.0
  Te  Te3  2  0.0  0.0  0.49  1.0
  Te  Te4  2  0.0  0.0  0.96  1.0

Bi Sb Te Te Te