data_Nb2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.78
_cell_angle_alpha   102.67
_cell_angle_beta   102.67
_cell_angle_gamma   35.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaSb
_chemical_formula_sum   'Nb2 Ga1 Sb1'
_cell_volume   74.48
_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  Nb1  1  0.85  0.0  0.38  1.0
  Nb  Nb2  1  0.32  0.0  0.41  1.0
  Ga  Ga0  1  0.6  0.0  0.75  1.0
  Sb  Sb3  1  0.56  0.0  0.11  1.0

data_Nb2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.78
_cell_length_c   5.26
_cell_angle_alpha   102.67
_cell_angle_beta   107.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaSb
_chemical_formula_sum   'Nb2 Ga1 Sb1'
_cell_volume   74.48
_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  0.38  0.85  1.0
  Nb  Nb1  1  0.0  0.41  0.32  1.0
  Ga  Ga2  1  0.0  0.75  0.6  1.0
  Sb  Sb3  1  0.0  0.11  0.56  1.0

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