data_ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   140.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa
_chemical_formula_sum   'Zn2 Ga2'
_cell_volume   70.37
_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  0.76  0.24  0.11  1.0
  Zn  Zn3  1  0.76  0.76  0.04  1.0
  Ga  Ga0  1  0.76  0.63  0.11  1.0
  Ga  Ga1  1  0.76  0.37  0.04  1.0

data_ZnGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.51
_cell_length_b   4.14
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnGa
_chemical_formula_sum   'Zn2 Ga2'
_cell_volume   70.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.46  0.24  1.0
  Ga  Ga1  2  0.37  0.54  0.37  1.0

Zn Zn Ga Ga
Zn Zn Ga Ga 0 3 o o o 1 2 o o o 