data_NbGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2B
_chemical_formula_sum   'Nb1 Ga2 B1'
_cell_volume   58.86
_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  Nb3  1  0.48  0.0  0.0  1.0
  Ga  Ga1  1  0.24  0.03  0.46  1.0
  Ga  Ga2  1  0.24  0.97  0.46  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_NbGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   117.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2B
_chemical_formula_sum   'Nb1 Ga2 B1'
_cell_volume   58.86
_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  0.48  0.0  1.0
  Ga  Ga1  1  0.46  0.24  0.03  1.0
  Ga  Ga2  1  0.46  0.24  0.97  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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