# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03447916
_cell_length_b   4.03447916
_cell_length_c   47.87678815
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   674.886269635
_cell_formula_units_Z   26
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
  Fe  Fe1  1  0.167311  0.583763  0.301090  1
  Fe  Fe2  1  0.500644  0.250430  0.283600  1
  Fe  Fe3  1  0.500644  0.250430  0.335759  1
  Fe  Fe4  1  0.833978  0.917096  0.317578  1
  Fe  Fe5  1  0.833978  0.917096  0.369899  1
  Fe  Fe6  1  0.167311  0.583763  0.353039  1
  Fe  Fe7  1  0.167311  0.583763  0.404572  1
  Fe  Fe8  1  0.500644  0.250430  0.387333  1
  Fe  Fe9  1  0.500644  0.250430  0.438982  1
  Fe  Fe10  1  0.833978  0.917096  0.421706  1
  Fe  Fe11  1  0.833978  0.917096  0.473416  1
  Fe  Fe12  1  0.167311  0.583763  0.456210  1
  Fe  Fe13  1  0.167311  0.583763  0.507874  1
  Fe  Fe14  1  0.500644  0.250430  0.490648  1
  Fe  Fe15  1  0.500644  0.250430  0.542312  1
  Fe  Fe16  1  0.833978  0.917096  0.525107  1
  Fe  Fe17  1  0.833978  0.917096  0.576816  1
  Fe  Fe18  1  0.167311  0.583763  0.559540  1
  Fe  Fe19  1  0.167311  0.583763  0.611189  1
  Fe  Fe20  1  0.500644  0.250430  0.593950  1
  Fe  Fe21  1  0.500644  0.250430  0.645483  1
  Fe  Fe22  1  0.833978  0.917096  0.628623  1
  Fe  Fe23  1  0.833978  0.917096  0.680944  1
  Fe  Fe24  1  0.167311  0.583763  0.662763  1
  Fe  Fe25  1  0.167311  0.583763  0.714922  1
  Fe  Fe26  1  0.500644  0.250430  0.697432  1
