data_NbBAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   151.6
_cell_angle_beta   146.62
_cell_angle_gamma   44.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBAu
_chemical_formula_sum   'Nb1 B1 Au1'
_cell_volume   42.99
_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  0.11  1.0
  B  B1  1  0.0  0.0  0.18  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0

data_NbBAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.15
_cell_length_c   5.48
_cell_angle_alpha   106.69
_cell_angle_beta   104.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBAu
_chemical_formula_sum   'Nb1 B1 Au1'
_cell_volume   42.99
_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  0.89  0.89  0.89  1.0
  B  B1  1  0.82  0.82  0.82  1.0
  Au  Au2  1  0.99  0.99  0.99  1.0

Nb B Au