# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35242056
_cell_length_b   3.35242056
_cell_length_c   47.46535805
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe15
_cell_volume   461.981286134
_cell_formula_units_Z   15
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  0.668671  0.670675  0.287874  1
  Fe  Fe2  1  0.335337  0.337341  0.317919  1
  Fe  Fe3  1  1.002004  1.004008  0.347097  1
  Fe  Fe4  1  0.668671  0.670675  0.376522  1
  Fe  Fe5  1  0.335337  0.337341  0.405916  1
  Fe  Fe6  1  1.002004  1.004008  0.435314  1
  Fe  Fe7  1  0.668671  0.670675  0.464711  1
  Fe  Fe8  1  0.335337  0.337341  0.494108  1
  Fe  Fe9  1  1.002004  1.004008  0.523506  1
  Fe  Fe10  1  0.668671  0.670675  0.552903  1
  Fe  Fe11  1  0.335337  0.337341  0.582301  1
  Fe  Fe12  1  1.002004  1.004008  0.611694  1
  Fe  Fe13  1  0.668671  0.670675  0.641120  1
  Fe  Fe14  1  0.335337  0.337341  0.670298  1
  Fe  Fe15  1  1.002004  1.004008  0.700343  1
