data_ZnSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.04
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Sb
_chemical_formula_sum   'Zn1 Sn2 Sb1'
_cell_volume   100.35
_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  0.67  1.0
  Sn  Sn1  1  0.0  0.0  0.02  1.0
  Sn  Sn2  1  0.7  0.02  0.03  1.0
  Sb  Sb0  1  0.7  0.02  0.21  1.0

data_ZnSn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.04
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Sb
_chemical_formula_sum   'Zn1 Sn2 Sb1'
_cell_volume   100.35
_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  0.67  1.0
  Sn  Sn1  1  0.0  0.0  0.02  1.0
  Sn  Sn2  1  0.7  0.02  0.03  1.0
  Sb  Sb3  1  0.7  0.02  0.21  1.0

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