data_AlBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   131.79
_cell_angle_beta   131.79
_cell_angle_gamma   70.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBi3
_chemical_formula_sum   'Al1 Bi3'
_cell_volume   115.91
_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
  Bi  Bi1  1  0.44  0.0  0.44  1.0
  Bi  Bi2  1  0.0  0.0  0.87  1.0
  Bi  Bi3  1  0.0  0.44  0.44  1.0

data_AlBi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   125.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlBi3
_chemical_formula_sum   'Al2 Bi6'
_cell_volume   231.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.28  0.28  1.0  1.0
  Bi  Bi2  2  0.0  0.0  0.87  1.0

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