data_ZnBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88
_cell_length_b   10.88
_cell_length_c   10.88
_cell_angle_alpha   18.15
_cell_angle_beta   18.15
_cell_angle_gamma   18.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBi2Sb
_chemical_formula_sum   'Zn1 Bi2 Sb1'
_cell_volume   109.25
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.35  1.0
  Bi  Bi1  1  0.0  0.0  0.76  1.0
  Sb  Sb2  1  0.0  0.0  0.05  1.0

data_ZnBi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   3.43
_cell_length_c   10.88
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBi2Sb
_chemical_formula_sum   'Zn2 Bi4 Sb2'
_cell_volume   218.51
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  -0.0  0.0  0.65  1.0
  Bi  Bi2  2  -0.0  0.0  0.24  1.0
  Sb  Sb3  2  -0.0  0.0  0.95  1.0

Zn Bi Bi Sb
Zn Bi Bi Sb 0 3 o o o 0 1 o o o 0 2 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 