data_NbZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.92
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnGa2
_chemical_formula_sum   'Nb1 Zn1 Ga2'
_cell_volume   66.03
_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
  Nb  Nb2  1  0.53  0.96  0.71  1.0
  Zn  Zn3  1  0.0  0.0  0.13  1.0
  Ga  Ga0  1  0.53  0.96  0.44  1.0
  Ga  Ga1  1  0.0  0.0  0.45  1.0

data_NbZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.92
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZnGa2
_chemical_formula_sum   'Nb1 Zn1 Ga2'
_cell_volume   66.03
_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
  Nb  Nb0  1  0.53  0.96  0.71  1.0
  Zn  Zn1  1  0.0  0.0  0.13  1.0
  Ga  Ga2  1  0.0  0.0  0.45  1.0
  Ga  Ga3  1  0.53  0.96  0.44  1.0

Nb Zn Ga Ga
Nb Zn Ga Ga 0 2 o o o 1 3 o o o 2 3 o + o 2 3 + + o 