data_Nb2AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.87
_cell_angle_alpha   103.04
_cell_angle_beta   103.04
_cell_angle_gamma   31.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlGa
_chemical_formula_sum   'Nb2 Al1 Ga1'
_cell_volume   66.87
_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  0.81  0.0  0.51  1.0
  Nb  Nb3  1  0.41  0.0  0.4  1.0
  Al  Al0  1  0.68  0.0  0.22  1.0
  Ga  Ga1  1  0.47  0.0  0.7  1.0

data_Nb2AlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.87
_cell_length_c   5.23
_cell_angle_alpha   103.04
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlGa
_chemical_formula_sum   'Nb2 Al1 Ga1'
_cell_volume   66.87
_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  0.0  0.4  0.41  1.0
  Nb  Nb1  1  0.0  0.51  0.81  1.0
  Al  Al2  1  0.0  0.22  0.68  1.0
  Ga  Ga3  1  0.0  0.7  0.47  1.0

Nb Nb Al Ga
Nb Nb Al Ga 0 2 o o o 1 3 o o o 