data_Nb3Ga2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ga2
_chemical_formula_sum   'Nb3 Ga2'
_cell_volume   91.99
_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  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.19  0.27  0.63  1.0
  Nb  Nb4  1  0.0  0.53  0.88  1.0
  Ga  Ga0  1  0.19  0.27  0.98  1.0
  Ga  Ga1  1  0.0  0.53  0.54  1.0

data_Nb3Ga2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ga2
_chemical_formula_sum   'Nb3 Ga2'
_cell_volume   91.99
_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  0.53  0.88  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.19  0.27  0.63  1.0
  Ga  Ga3  1  -0.0  0.53  0.54  1.0
  Ga  Ga4  1  0.19  0.27  0.98  1.0

Nb Nb Nb Ga Ga
Nb Nb Nb Ga Ga 0 3 o o - 0 2 o - - 1 4 o o o 1 2 o o o 1 3 o o o 2 3 o o o 2 4 o o o 