data_ZnAgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAgSb
_chemical_formula_sum   'Zn1 Ag1 Sb1'
_cell_volume   65.04
_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  0.75  1.0
  Ag  Ag0  1  1.0  0.5  0.82  1.0
  Sb  Sb1  1  0.16  0.25  0.45  1.0

data_ZnAgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAgSb
_chemical_formula_sum   'Zn1 Ag1 Sb1'
_cell_volume   65.04
_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  0.75  0.0  0.0  1.0
  Ag  Ag1  1  0.82  1.0  0.5  1.0
  Sb  Sb2  1  0.45  0.16  0.25  1.0

Zn Ag Sb
Zn Ag Sb 0 2 o o o 0 1 - - o 0 1 - o o 1 2 + o o 