# generated using pymatgen
data_Zr2AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01196958
_cell_length_b   5.01196958
_cell_length_c   12.37300622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlFe3
_chemical_formula_sum   'Zr6 Al3 Fe9'
_cell_volume   269.16755881
_cell_formula_units_Z   3
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  0.12149200  1
  Zr  Zr1  1  0.00000000  0.00000000  0.87850800  1
  Zr  Zr2  1  0.66666700  0.33333300  0.45482500  1
  Zr  Zr3  1  0.66666700  0.33333300  0.21184100  1
  Zr  Zr4  1  0.33333300  0.66666700  0.78815900  1
  Zr  Zr5  1  0.33333300  0.66666700  0.54517500  1
  Al  Al6  1  0.33333300  0.66666700  0.16666700  1
  Al  Al7  1  0.00000000  0.00000000  0.50000000  1
  Al  Al8  1  0.66666700  0.33333300  0.83333300  1
  Fe  Fe9  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe10  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe11  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe12  1  0.66666700  0.83333300  0.33333300  1
  Fe  Fe13  1  0.16666700  0.83333300  0.33333300  1
  Fe  Fe14  1  0.16666700  0.33333300  0.33333300  1
  Fe  Fe15  1  0.33333300  0.16666700  0.66666700  1
  Fe  Fe16  1  0.83333300  0.16666700  0.66666700  1
  Fe  Fe17  1  0.83333300  0.66666700  0.66666700  1
