data_NbAlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   151.09
_cell_angle_beta   151.09
_cell_angle_gamma   41.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlAu
_chemical_formula_sum   'Nb1 Al1 Au1'
_cell_volume   50.46
_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  0.43  1.0
  Al  Al0  1  0.0  0.0  0.18  1.0
  Au  Au1  1  0.0  0.0  0.86  1.0

data_NbAlAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   110.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAlAu
_chemical_formula_sum   'Nb2 Al2 Au2'
_cell_volume   100.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.57  1.0
  Al  Al1  2  0.0  0.0  0.82  1.0
  Au  Au2  2  0.0  0.0  0.14  1.0

Nb Al Au