# generated using pymatgen
data_Zr2AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03810578
_cell_length_b   5.03810505
_cell_length_c   8.32848824
_cell_angle_alpha   90.00023610
_cell_angle_beta   90.00022996
_cell_angle_gamma   60.00091161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlFe3
_chemical_formula_sum   'Zr4 Al2 Fe6'
_cell_volume   183.07763715
_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  0.33333833  0.33332549  0.56504322  1.0
  Zr  Zr1  1  0.66666566  0.66667559  0.43498385  1.0
  Zr  Zr2  1  0.66666478  0.66667066  0.06503508  1.0
  Zr  Zr3  1  0.33333232  0.33333132  0.93493155  1.0
  Al  Al4  1  0.00000256  -0.00000233  0.50000295  1.0
  Al  Al5  1  0.00000136  -0.00000172  -0.00000043  1.0
  Fe  Fe6  1  0.82916760  0.34166795  0.74999514  1.0
  Fe  Fe7  1  0.34167271  0.82915966  0.74999562  1.0
  Fe  Fe8  1  0.82917418  0.82916180  0.74999517  1.0
  Fe  Fe9  1  0.17083201  0.65832955  0.25000610  1.0
  Fe  Fe10  1  0.65832150  0.17084250  0.25000591  1.0
  Fe  Fe11  1  0.17082701  0.17083953  0.25000585  1.0