data_Al2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   3.47
_cell_angle_alpha   92.86
_cell_angle_beta   92.86
_cell_angle_gamma   100.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnBi
_chemical_formula_sum   'Al2 Sn1 Bi1'
_cell_volume   96.24
_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
  Al  Al0  1  0.57  0.96  0.73  1.0
  Al  Al1  1  0.57  0.04  0.73  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.41  0.0  0.0  1.0

data_Al2SnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   100.25
_cell_angle_beta   92.86
_cell_angle_gamma   92.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SnBi
_chemical_formula_sum   'Al2 Sn1 Bi1'
_cell_volume   96.24
_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
  Al  Al0  1  0.73  0.57  0.04  1.0
  Al  Al1  1  0.73  0.57  0.96  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.41  0.0  1.0

Al Al Sn Bi
Al Al Sn Bi 0 1 o + o 0 2 + + + 0 3 o + + 1 2 + o + 1 3 o o + 2 3 o o o 