data_Nb2AlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.97
_cell_angle_alpha   101.35
_cell_angle_beta   101.35
_cell_angle_gamma   34.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlBi
_chemical_formula_sum   'Nb2 Al1 Bi1'
_cell_volume   78.25
_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  0.09  0.0  0.73  1.0
  Nb  Nb3  1  0.42  0.0  0.41  1.0
  Al  Al0  1  0.57  0.0  0.23  1.0
  Bi  Bi1  1  0.7  0.0  0.79  1.0

data_Nb2AlBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.97
_cell_length_c   5.31
_cell_angle_alpha   101.35
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlBi
_chemical_formula_sum   'Nb2 Al1 Bi1'
_cell_volume   78.25
_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  0.41  0.42  1.0
  Nb  Nb1  1  0.0  0.73  0.09  1.0
  Al  Al2  1  0.0  0.23  0.57  1.0
  Bi  Bi3  1  0.0  0.79  0.7  1.0

Nb Nb Al Bi