data_NbAlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   140.46
_cell_angle_beta   140.46
_cell_angle_gamma   57.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlBi
_chemical_formula_sum   'Nb1 Al1 Bi1'
_cell_volume   60.15
_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  0.19  1.0
  Al  Al0  1  0.0  0.0  0.2  1.0
  Bi  Bi1  1  0.0  0.0  0.26  1.0

data_NbAlBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   118.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAlBi
_chemical_formula_sum   'Nb2 Al2 Bi2'
_cell_volume   120.3
_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  0.81  1.0
  Al  Al1  2  0.0  0.0  0.8  1.0
  Bi  Bi2  2  0.0  0.0  0.74  1.0

Nb Al Bi