# generated using pymatgen
data_Mg6AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90233665
_cell_length_b   5.99879629
_cell_length_c   10.64039823
_cell_angle_alpha   90.00000188
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6AlFe
_chemical_formula_sum   'Mg12 Al2 Fe2'
_cell_volume   312.91409638
_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
  Mg  Mg0  1  0.00000000  0.25722472  0.08414204  1.0
  Mg  Mg1  1  0.00000000  0.74277521  0.08414219  1.0
  Mg  Mg2  1  0.00000000  0.49999997  0.83068508  1.0
  Mg  Mg3  1  0.50000000  0.24654739  0.91695567  1.0
  Mg  Mg4  1  0.50000000  0.75345257  0.91695562  1.0
  Mg  Mg5  1  0.50000000  0.49999987  0.66916689  1.0
  Mg  Mg6  1  0.00000000  0.75722472  0.58414204  1.0
  Mg  Mg7  1  0.00000000  0.24277521  0.58414219  1.0
  Mg  Mg8  1  0.00000000  0.99999997  0.33068508  1.0
  Mg  Mg9  1  0.50000000  0.74654739  0.41695567  1.0
  Mg  Mg10  1  0.50000000  0.25345257  0.41695562  1.0
  Mg  Mg11  1  0.50000000  0.99999987  0.16916689  1.0
  Al  Al12  1  0.00000000  0.49999995  0.31971743  1.0
  Al  Al13  1  0.00000000  0.99999995  0.81971743  1.0
  Fe  Fe14  1  0.50000000  0.50000032  0.17823509  1.0
  Fe  Fe15  1  0.50000000  0.00000032  0.67823509  1.0