data_AlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   101.82
_cell_angle_beta   101.82
_cell_angle_gamma   126.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2
_chemical_formula_sum   'Al2 Bi4'
_cell_volume   162.65
_cell_formula_units_Z   2
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  0.38  1.0
  Al  Al1  1  0.0  0.0  0.13  1.0
  Bi  Bi2  1  0.16  0.68  0.76  1.0
  Bi  Bi3  1  0.68  0.16  0.0  1.0
  Bi  Bi4  1  0.16  1.0  0.0  1.0
  Bi  Bi5  1  0.68  0.84  0.76  1.0

data_AlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   78.18
_cell_angle_beta   63.09
_cell_angle_gamma   63.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi2
_chemical_formula_sum   'Al2 Bi4'
_cell_volume   162.65
_cell_formula_units_Z   2
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  0.62  1.0
  Al  Al1  1  0.0  0.0  0.87  1.0
  Bi  Bi2  1  0.16  0.53  0.0  1.0
  Bi  Bi3  1  0.68  0.47  0.24  1.0
  Bi  Bi4  1  0.84  0.84  0.24  1.0
  Bi  Bi5  1  1.0  0.16  0.0  1.0

Al Al Bi Bi Bi Bi
Al Al Bi Bi Bi Bi 0 1 o o o 1 4 o - o 1 3 - o o 1 5 - - - 2 4 o o + 2 3 o + + 3 5 o - - 4 5 - o - 