# generated using pymatgen
data_Zr(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49563113
_cell_length_b   6.49563113
_cell_length_c   6.49563113
_cell_angle_alpha   135.46758247
_cell_angle_beta   98.36386189
_cell_angle_gamma   98.14548887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(AlFe)6
_chemical_formula_sum   'Zr1 Al6 Fe6'
_cell_volume   177.87702657
_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  0.65579932  0.65579932  -0.00000000  1.0
  Al  Al2  1  0.34420068  0.34420068  -0.00000000  1.0
  Al  Al3  1  0.33520811  0.00000000  0.33520811  1.0
  Al  Al4  1  0.66479189  -0.00000000  0.66479189  1.0
  Al  Al5  1  0.18619185  0.68619185  0.50000000  1.0
  Al  Al6  1  0.81380815  0.31380815  0.50000000  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe8  1  0.50000000  0.00000000  -0.00000000  1.0
  Fe  Fe9  1  -0.00000000  0.50000000  -0.00000000  1.0
  Fe  Fe10  1  -0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe11  1  0.76019139  0.50000000  0.26019139  1.0
  Fe  Fe12  1  0.23980861  0.50000000  0.73980861  1.0