data_ZrZnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnSb
_chemical_formula_sum   'Zr1 Zn1 Sb1'
_cell_volume   63.63
_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
  Zr  Zr2  1  0.0  0.56  0.32  1.0
  Zn  Zn1  1  0.0  0.0  0.13  1.0
  Sb  Sb0  1  0.22  0.28  0.29  1.0

data_ZrZnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnSb
_chemical_formula_sum   'Zr1 Zn1 Sb1'
_cell_volume   63.63
_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
  Zr  Zr0  1  0.32  0.0  0.56  1.0
  Zn  Zn1  1  0.13  0.0  0.0  1.0
  Sb  Sb2  1  0.29  0.22  0.28  1.0

Zr Zn Sb
Zr Zn Sb 0 1 o + o 0 2 o o o 1 2 o o o 