# generated using pymatgen
data_Zr6Al2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97249675
_cell_length_b   7.97249675
_cell_length_c   3.31535565
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Al2Fe
_chemical_formula_sum   'Zr6 Al2 Fe1'
_cell_volume   182.49436416
_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  0.60097600  0.00000000  0.00000000  1
  Zr  Zr1  1  0.39902400  0.39902400  0.00000000  1
  Zr  Zr2  1  0.00000000  0.60097600  0.00000000  1
  Zr  Zr3  1  0.00000000  0.24959700  0.50000000  1
  Zr  Zr4  1  0.75040300  0.75040300  0.50000000  1
  Zr  Zr5  1  0.24959700  0.00000000  0.50000000  1
  Al  Al6  1  0.33333300  0.66666700  0.50000000  1
  Al  Al7  1  0.66666700  0.33333300  0.50000000  1
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1
