data_NbGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   140.41
_cell_angle_beta   126.41
_cell_angle_gamma   68.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Bi
_chemical_formula_sum   'Nb1 Ga2 Bi1'
_cell_volume   79.5
_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  0.0  0.31  1.0
  Ga  Ga1  1  0.0  0.0  0.16  1.0
  Ga  Ga2  1  0.83  0.0  0.22  1.0
  Bi  Bi0  1  0.0  0.44  0.23  1.0

data_NbGa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.87
_cell_length_c   5.4
_cell_angle_alpha   116.79
_cell_angle_beta   109.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Bi
_chemical_formula_sum   'Nb1 Ga2 Bi1'
_cell_volume   79.5
_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  0.69  0.69  0.69  1.0
  Ga  Ga1  1  0.61  0.78  0.61  1.0
  Ga  Ga2  1  0.84  0.84  0.84  1.0
  Bi  Bi3  1  0.77  0.21  0.21  1.0

Nb Ga Ga Bi