data_NbAlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   142.9
_cell_angle_beta   129.16
_cell_angle_gamma   64.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlBi2
_chemical_formula_sum   'Nb1 Al1 Bi2'
_cell_volume   93.32
_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  0.0  0.52  0.25  1.0
  Al  Al0  1  0.0  0.0  0.27  1.0
  Bi  Bi1  1  0.0  0.52  0.8  1.0
  Bi  Bi2  1  0.0  0.0  0.55  1.0

data_NbAlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.04
_cell_length_c   5.87
_cell_angle_alpha   115.42
_cell_angle_beta   108.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlBi2
_chemical_formula_sum   'Nb1 Al1 Bi2'
_cell_volume   93.32
_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  0.75  0.27  0.27  1.0
  Al  Al1  1  0.73  0.73  0.73  1.0
  Bi  Bi2  1  0.2  0.71  0.71  1.0
  Bi  Bi3  1  0.45  0.45  0.45  1.0

Nb Al Bi Bi
Nb Al Bi Bi 0 3 o + o 1 2 o o o 1 2 o - - 1 3 o o o 2 3 o o o 