data_Zn2SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   3.56
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   103.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnSb
_chemical_formula_sum   'Zn2 Sn1 Sb1'
_cell_volume   90.49
_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  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.61  0.78  0.8  1.0
  Sn  Sn1  1  0.34  0.0  0.8  1.0
  Sb  Sb0  1  0.27  0.78  0.0  1.0

data_Zn2SnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.53
_cell_length_c   5.76
_cell_angle_alpha   103.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnSb
_chemical_formula_sum   'Zn2 Sn1 Sb1'
_cell_volume   90.49
_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
  Zn  Zn1  1  0.22  0.39  0.2  1.0
  Sn  Sn2  1  0.0  0.66  0.2  1.0
  Sb  Sb3  1  0.22  0.73  -0.0  1.0

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