data_Zn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   7.16
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ga
_chemical_formula_sum   'Zn4 Ga2'
_cell_volume   110.79
_cell_formula_units_Z   2
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  0.7  0.68  0.0  1.0
  Zn  Zn3  1  0.84  0.48  0.0  1.0
  Zn  Zn4  1  0.47  0.06  0.39  1.0
  Zn  Zn5  1  0.07  0.1  0.39  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.77  0.58  0.39  1.0

data_Zn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.55
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ga
_chemical_formula_sum   'Zn4 Ga2'
_cell_volume   110.79
_cell_formula_units_Z   2
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  0.7  0.68  1.0
  Zn  Zn1  1  0.0  0.84  0.48  1.0
  Zn  Zn2  1  0.39  0.07  0.1  1.0
  Zn  Zn3  1  0.39  0.47  0.06  1.0
  Ga  Ga4  1  0.0  0.0  0.0  1.0
  Ga  Ga5  1  0.39  0.77  0.58  1.0

Zn Zn Zn Zn Ga Ga
Zn Zn Zn Zn Ga Ga 0 5 o o o 0 1 o o o 1 5 o o o 2 4 o o o 2 3 o o o 2 2 o o + 3 4 o o o 