data_Nb2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.85
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnBi
_chemical_formula_sum   'Nb2 Sn1 Bi1'
_cell_volume   87.25
_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  Nb1  1  0.33  0.0  0.02  1.0
  Nb  Nb2  1  0.92  0.42  0.41  1.0
  Sn  Sn3  1  0.22  0.0  0.53  1.0
  Bi  Bi0  1  0.75  0.42  0.43  1.0

data_Nb2SnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.85
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnBi
_chemical_formula_sum   'Nb2 Sn1 Bi1'
_cell_volume   87.25
_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  0.33  0.0  0.02  1.0
  Nb  Nb1  1  0.92  0.42  0.41  1.0
  Sn  Sn2  1  0.22  0.0  0.53  1.0
  Bi  Bi3  1  0.75  0.42  0.43  1.0

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