# generated using pymatgen
data_Zr2AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05449785
_cell_length_b   5.05449785
_cell_length_c   8.15621556
_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   'Zr4 Al2 Fe6'
_cell_volume   180.45767563
_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  0.33333300  0.66666700  0.93545700  1
  Zr  Zr1  1  0.66666700  0.33333300  0.06454300  1
  Zr  Zr2  1  0.66666700  0.33333300  0.43545700  1
  Zr  Zr3  1  0.33333300  0.66666700  0.56454300  1
  Al  Al4  1  0.00000000  0.00000000  0.00000000  1
  Al  Al5  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe6  1  0.82749200  0.17250800  0.75000000  1
  Fe  Fe7  1  0.82749200  0.65498400  0.75000000  1
  Fe  Fe8  1  0.34501600  0.17250800  0.75000000  1
  Fe  Fe9  1  0.17250800  0.82749200  0.25000000  1
  Fe  Fe10  1  0.17250800  0.34501600  0.25000000  1
  Fe  Fe11  1  0.65498400  0.82749200  0.25000000  1
