data_AlFe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.35
_cell_angle_alpha   100.83
_cell_angle_beta   100.83
_cell_angle_gamma   41.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Bi
_chemical_formula_sum   'Al1 Fe2 Bi1'
_cell_volume   70.51
_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
  Fe  Fe2  1  0.08  0.0  0.85  1.0
  Fe  Fe3  1  0.27  0.0  0.39  1.0
  Bi  Bi1  1  0.67  0.0  0.62  1.0

data_AlFe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.5
_cell_length_c   5.35
_cell_angle_alpha   100.83
_cell_angle_beta   90.0
_cell_angle_gamma   110.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Bi
_chemical_formula_sum   'Al1 Fe2 Bi1'
_cell_volume   70.51
_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
  Fe  Fe1  1  0.0  0.73  0.61  1.0
  Fe  Fe2  1  0.0  0.92  0.15  1.0
  Bi  Bi3  1  0.0  0.33  0.38  1.0

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