data_NaNbGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   139.37
_cell_angle_beta   139.37
_cell_angle_gamma   58.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbGa2
_chemical_formula_sum   'Na1 Nb1 Ga2'
_cell_volume   72.92
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.94  0.0  0.43  1.0
  Ga  Ga0  1  0.0  0.0  0.86  1.0
  Ga  Ga1  1  0.0  0.94  0.43  1.0

data_NaNbGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.58
_cell_angle_alpha   110.32
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbGa2
_chemical_formula_sum   'Na1 Nb1 Ga2'
_cell_volume   72.92
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.43  0.49  0.49  1.0
  Ga  Ga2  1  0.49  0.43  0.49  1.0
  Ga  Ga3  1  0.86  0.86  0.86  1.0

Na Nb Ga Ga
Na Nb Ga Ga 0 2 o o - 1 3 + - o 