data_Al2Fe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23
_cell_length_b   9.23
_cell_length_c   9.23
_cell_angle_alpha   164.06
_cell_angle_beta   157.38
_cell_angle_gamma   27.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Fe5
_chemical_formula_sum   'Al2 Fe5'
_cell_volume   83.02
_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  0.24  1.0
  Al  Al1  1  0.0  0.0  0.68  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.36  1.0
  Fe  Fe4  1  0.0  0.0  0.12  1.0
  Fe  Fe5  1  0.0  0.0  0.8  1.0
  Fe  Fe6  1  0.0  0.0  0.56  1.0

data_Al2Fe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   3.62
_cell_length_c   9.23
_cell_angle_alpha   101.31
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Fe5
_chemical_formula_sum   'Al2 Fe5'
_cell_volume   83.02
_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  0.24  0.24  1.0
  Al  Al1  1  0.0  0.68  0.68  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.12  0.12  1.0
  Fe  Fe4  1  0.0  0.36  0.36  1.0
  Fe  Fe5  1  0.0  0.56  0.56  1.0
  Fe  Fe6  1  0.0  0.8  0.8  1.0

Al Al Fe Fe Fe Fe Fe
Al Al Fe Fe Fe Fe Fe 0 4 o o o 0 3 o o o 1 6 o o o 1 5 o o o 2 4 o o o 