# generated using pymatgen
data_Zr(Al2Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98673900
_cell_length_b   6.54408533
_cell_length_c   6.54408533
_cell_angle_alpha   81.65290875
_cell_angle_beta   67.60367484
_cell_angle_gamma   67.60367484
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(Al2Fe)4
_chemical_formula_sum   'Zr1 Al8 Fe4'
_cell_volume   182.55535833
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.00000000  0.33673600  0.66326400  1.0
  Al  Al2  1  0.00000000  0.66326400  0.33673600  1.0
  Al  Al3  1  0.66326400  0.33673600  0.33673600  1.0
  Al  Al4  1  0.33673600  0.66326400  0.66326400  1.0
  Al  Al5  1  0.50000000  0.78193500  0.21806500  1.0
  Al  Al6  1  0.50000000  0.21806500  0.78193500  1.0
  Al  Al7  1  0.71806500  0.78193500  0.78193500  1.0
  Al  Al8  1  0.28193500  0.21806500  0.21806500  1.0
  Fe  Fe9  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe10  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe11  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe12  1  0.00000000  0.50000000  0.00000000  1.0