data_AlSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   146.27
_cell_angle_beta   137.19
_cell_angle_gamma   55.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnBi2
_chemical_formula_sum   'Al1 Sn1 Bi2'
_cell_volume   113.48
_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  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.94  1.0
  Bi  Bi1  1  0.95  0.0  0.33  1.0
  Bi  Bi2  1  0.0  0.45  0.61  1.0

data_AlSnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.9
_cell_length_c   6.72
_cell_angle_alpha   111.4
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSnBi2
_chemical_formula_sum   'Al1 Sn1 Bi2'
_cell_volume   113.48
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.06  0.06  0.06  1.0
  Bi  Bi2  1  0.39  0.84  0.84  1.0
  Bi  Bi3  1  0.62  0.67  0.62  1.0

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