# generated using pymatgen
data_Zr(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95457225
_cell_length_b   8.42001690
_cell_length_c   8.54117447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(AlFe)6
_chemical_formula_sum   'Zr2 Al12 Fe12'
_cell_volume   356.31714699
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.50000000  0.50000000  0.50000000  1
  Al  Al2  1  0.00000000  0.00000000  0.34367600  1
  Al  Al3  1  0.00000000  0.00000000  0.65632400  1
  Al  Al4  1  0.50000000  0.50000000  0.84367600  1
  Al  Al5  1  0.50000000  0.50000000  0.15632400  1
  Al  Al6  1  0.00000000  0.33489800  0.00000000  1
  Al  Al7  1  0.00000000  0.66510200  0.00000000  1
  Al  Al8  1  0.50000000  0.83489800  0.50000000  1
  Al  Al9  1  0.50000000  0.16510200  0.50000000  1
  Al  Al10  1  0.00000000  0.50000000  0.31437100  1
  Al  Al11  1  0.00000000  0.50000000  0.68562900  1
  Al  Al12  1  0.50000000  0.00000000  0.81437100  1
  Al  Al13  1  0.50000000  0.00000000  0.18562900  1
  Fe  Fe14  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe15  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe16  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe17  1  0.25000000  0.25000000  0.75000000  1
  Fe  Fe18  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe19  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe20  1  0.75000000  0.25000000  0.75000000  1
  Fe  Fe21  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe22  1  0.00000000  0.26047300  0.50000000  1
  Fe  Fe23  1  0.00000000  0.73952700  0.50000000  1
  Fe  Fe24  1  0.50000000  0.76047300  0.00000000  1
  Fe  Fe25  1  0.50000000  0.23952700  0.00000000  1
