# generated using pymatgen
data_U(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55592539
_cell_length_b   6.55592539
_cell_length_c   6.55592539
_cell_angle_alpha   135.72994881
_cell_angle_beta   98.93470120
_cell_angle_gamma   97.39063943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(AlFe)6
_chemical_formula_sum   'U1 Al6 Fe6'
_cell_volume   182.17193312
_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
  U  U0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.65129800  0.65129800  0.00000000  1.0
  Al  Al2  1  0.34870200  0.34870200  0.00000000  1.0
  Al  Al3  1  0.34198800  0.00000000  0.34198800  1.0
  Al  Al4  1  0.65801200  0.00000000  0.65801200  1.0
  Al  Al5  1  0.19946100  0.69946100  0.50000000  1.0
  Al  Al6  1  0.80053900  0.30053900  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  0.76836300  0.50000000  0.26836300  1.0
  Fe  Fe12  1  0.23163700  0.50000000  0.73163700  1.0