# generated using pymatgen
data_ZrAlFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76786618
_cell_length_b   6.76786618
_cell_length_c   6.76786618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlFe4
_chemical_formula_sum   'Zr4 Al4 Fe16'
_cell_volume   309.99542799
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.00000000  0.50000000  0.50000000  1
  Zr  Zr2  1  0.50000000  0.00000000  0.50000000  1
  Zr  Zr3  1  0.50000000  0.50000000  0.00000000  1
  Al  Al4  1  0.25000000  0.25000000  0.75000000  1
  Al  Al5  1  0.25000000  0.75000000  0.25000000  1
  Al  Al6  1  0.75000000  0.25000000  0.25000000  1
  Al  Al7  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe8  1  0.87607400  0.37607400  0.87607400  1
  Fe  Fe9  1  0.12392600  0.37607400  0.12392600  1
  Fe  Fe10  1  0.37607400  0.12392600  0.12392600  1
  Fe  Fe11  1  0.62392600  0.12392600  0.87607400  1
  Fe  Fe12  1  0.87607400  0.87607400  0.37607400  1
  Fe  Fe13  1  0.12392600  0.87607400  0.62392600  1
  Fe  Fe14  1  0.37607400  0.62392600  0.62392600  1
  Fe  Fe15  1  0.62392600  0.62392600  0.37607400  1
  Fe  Fe16  1  0.37607400  0.37607400  0.37607400  1
  Fe  Fe17  1  0.62392600  0.37607400  0.62392600  1
  Fe  Fe18  1  0.87607400  0.12392600  0.62392600  1
  Fe  Fe19  1  0.12392600  0.12392600  0.37607400  1
  Fe  Fe20  1  0.37607400  0.87607400  0.87607400  1
  Fe  Fe21  1  0.62392600  0.87607400  0.12392600  1
  Fe  Fe22  1  0.87607400  0.62392600  0.12392600  1
  Fe  Fe23  1  0.12392600  0.62392600  0.87607400  1
