data_NbGaB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   44.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaB2
_chemical_formula_sum   'Nb1 Ga1 B2'
_cell_volume   43.75
_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  0.57  0.0  0.35  1.0
  Ga  Ga2  1  0.0  0.0  0.88  1.0
  B  B0  1  0.57  0.0  0.58  1.0
  B  B1  1  0.0  0.0  0.55  1.0

data_NbGaB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.39
_cell_length_c   4.45
_cell_angle_alpha   112.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaB2
_chemical_formula_sum   'Nb1 Ga1 B2'
_cell_volume   43.75
_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  0.43  0.35  0.35  1.0
  Ga  Ga1  1  0.0  0.88  0.88  1.0
  B  B2  1  0.0  0.55  0.55  1.0
  B  B3  1  0.43  0.58  0.58  1.0

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