[CIF]
data_AlFe6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30742087
_cell_length_b   6.30742087
_cell_length_c   10.28574679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.42393841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe6Mo
_chemical_formula_sum   'Al4 Fe24 Mo4'
_cell_volume   385.91328896
_cell_formula_units_Z   4
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  3.64371579  -2.54448970  0.00000000  1
  Al  Al1  1  3.64371579  2.54448970  0.00000000  1
  Al  Al2  1  0.00000000  0.00000000  7.68090291  1
  Al  Al3  1  0.00000000  0.00000000  2.60484388  1
  Fe  Fe4  1  3.64371579  -2.58238708  7.73045131  1
  Fe  Fe5  1  1.79119745  -1.29894788  9.00873358  1
  Fe  Fe6  1  5.49623413  1.29894788  9.00873358  1
  Fe  Fe7  1  3.64371579  2.58238708  7.73045131  1
  Fe  Fe8  1  5.49623413  -1.29894788  9.00873358  1
  Fe  Fe9  1  1.79119745  1.29894788  9.00873358  1
  Fe  Fe10  1  0.00000000  0.00000000  5.14287339  1
  Fe  Fe11  1  5.47011667  1.27779085  6.42283286  1
  Fe  Fe12  1  5.47011667  -1.27779085  6.42283286  1
  Fe  Fe13  1  3.64371579  -2.58238708  2.55529548  1
  Fe  Fe14  1  1.81731491  -1.27779085  3.86291393  1
  Fe  Fe15  1  5.47011667  1.27779085  3.86291393  1
  Fe  Fe16  1  3.64371579  2.58238708  2.55529548  1
  Fe  Fe17  1  5.47011667  -1.27779085  3.86291393  1
  Fe  Fe18  1  1.81731491  1.27779085  3.86291393  1
  Fe  Fe19  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe20  1  5.49623413  1.29894788  1.27701321  1
  Fe  Fe21  1  5.49623413  -1.29894788  1.27701321  1
  Fe  Fe22  1  3.64371579  0.00000000  5.14287339  1
  Fe  Fe23  1  1.81731491  1.27779085  6.42283286  1
  Fe  Fe24  1  1.81731491  -1.27779085  6.42283286  1
  Fe  Fe25  1  3.64371579  0.00000000  0.00000000  1
  Fe  Fe26  1  1.79119745  1.29894788  1.27701321  1
  Fe  Fe27  1  1.79119745  -1.29894788  1.27701321  1
  Mo  Mo28  1  3.64371579  -2.53644849  5.14287339  1
  Mo  Mo29  1  3.64371579  2.53644849  5.14287339  1
  Mo  Mo30  1  3.64371579  0.00000000  7.66168430  1
  Mo  Mo31  1  3.64371579  0.00000000  2.62406249  1
[/CIF]
