# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64776001
_cell_length_b   2.64776001
_cell_length_c   46.26285250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al4 Fe4'
_cell_volume   280.87965092
_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  Al1  1  1.002818  1.001878  0.362702  1
  Al  Al2  1  1.002818  1.001878  0.474251  1
  Al  Al3  1  0.002818  0.001878  0.585777  1
  Al  Al4  1  0.002818  0.001878  0.697021  1
  Fe  Fe5  1  0.002818  0.001878  0.309193  1
  Fe  Fe6  1  0.002818  0.001878  0.418487  1
  Fe  Fe7  1  1.002818  1.001878  0.530014  1
  Fe  Fe8  1  1.002818  1.001878  0.641526  1
