data_ZnBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   4.25
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   95.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBiSb2
_chemical_formula_sum   'Zn1 Bi1 Sb2'
_cell_volume   108.72
_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  0.19  0.0  0.01  1.0
  Sb  Sb1  1  0.41  0.12  0.35  1.0
  Sb  Sb2  1  0.98  0.12  0.67  1.0

data_ZnBiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.25
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   95.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBiSb2
_chemical_formula_sum   'Zn1 Bi1 Sb2'
_cell_volume   108.72
_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  Zn0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.19  0.0  0.01  1.0
  Sb  Sb2  1  0.41  0.12  0.35  1.0
  Sb  Sb3  1  0.98  0.12  0.67  1.0

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