data_AlSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Bi
_chemical_formula_sum   'Al1 Sn2 Bi1'
_cell_volume   107.51
_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  Sn2  1  0.67  0.65  0.72  1.0
  Sn  Sn3  1  0.67  0.35  0.72  1.0
  Bi  Bi1  1  0.34  0.0  0.0  1.0

data_AlSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   109.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSn2Bi
_chemical_formula_sum   'Al1 Sn2 Bi1'
_cell_volume   107.51
_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  0.72  0.67  0.35  1.0
  Sn  Sn2  1  0.72  0.67  0.65  1.0
  Bi  Bi3  1  -0.0  0.34  0.0  1.0

Al Sn Sn Bi