data_ZnGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Sb
_chemical_formula_sum   'Zn1 Ga2 Sb1'
_cell_volume   83.74
_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  0.85  1.0
  Ga  Ga0  1  0.05  0.0  0.1  1.0
  Ga  Ga1  1  0.0  0.0  0.4  1.0
  Sb  Sb2  1  0.05  0.0  0.01  1.0

data_ZnGa2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Sb
_chemical_formula_sum   'Zn1 Ga2 Sb1'
_cell_volume   83.74
_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  0.85  1.0
  Ga  Ga1  1  0.0  0.0  0.4  1.0
  Ga  Ga2  1  0.05  0.0  0.1  1.0
  Sb  Sb3  1  0.05  0.0  0.01  1.0

Zn Ga Ga Sb
Zn Ga Ga Sb 0 3 o o + 1 3 o o o 1 2 o o o 2 2 o + o 2 2 + o o 2 3 o o o 