# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46945675
_cell_length_b   12.41924193
_cell_length_c   50.71442725
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.73964420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1547.55207862
_cell_formula_units_Z   60
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  0.740254  0.923975  0.285080  1
  Fe  Fe2  1  0.262981  0.282642  0.255847  1
  Fe  Fe3  1  0.522109  0.605769  0.269943  1
  Fe  Fe4  1  0.520768  0.105111  0.269932  1
  Fe  Fe5  1  0.768565  0.424934  0.284162  1
  Fe  Fe6  1  0.242861  0.782690  0.256558  1
  Fe  Fe7  1  0.319080  0.886959  0.330627  1
  Fe  Fe8  1  0.951031  0.245273  0.299940  1
  Fe  Fe9  1  0.183019  0.566059  0.315028  1
  Fe  Fe10  1  0.170858  0.066542  0.314938  1
  Fe  Fe11  1  0.395948  0.385634  0.329799  1
  Fe  Fe12  1  0.931549  0.744236  0.300728  1
  Fe  Fe13  1  0.461389  0.851055  0.377035  1
  Fe  Fe14  1  0.625079  0.206692  0.344921  1
  Fe  Fe15  1  0.823611  0.525582  0.359860  1
  Fe  Fe16  1  0.872435  0.028957  0.360957  1
  Fe  Fe17  1  0.033725  0.347177  0.375787  1
  Fe  Fe18  1  0.631516  0.707472  0.346218  1
  Fe  Fe19  1  0.766836  0.809483  0.421822  1
  Fe  Fe20  1  0.487157  0.170111  0.391498  1
  Fe  Fe21  1  0.585760  0.489938  0.405905  1
  Fe  Fe22  1  0.145906  0.990060  0.406878  1
  Fe  Fe23  1  0.236311  0.310866  0.422028  1
  Fe  Fe24  1  0.097354  0.669142  0.391127  1
  Fe  Fe25  1  0.065815  0.772428  0.467159  1
  Fe  Fe26  1  0.839657  0.131390  0.436739  1
  Fe  Fe27  1  0.936634  0.452669  0.451544  1
  Fe  Fe28  1  0.464838  0.951218  0.452105  1
  Fe  Fe29  1  0.555492  0.273008  0.467190  1
  Fe  Fe30  1  0.350447  0.631316  0.436794  1
  Fe  Fe31  1  0.371689  0.734786  0.512387  1
  Fe  Fe32  1  0.166644  0.093093  0.481990  1
  Fe  Fe33  1  0.257297  0.414884  0.497075  1
  Fe  Fe34  1  0.785502  0.913433  0.497637  1
  Fe  Fe35  1  0.882479  0.234711  0.512442  1
  Fe  Fe36  1  0.656321  0.593674  0.482022  1
  Fe  Fe37  1  0.624782  0.696959  0.558054  1
  Fe  Fe38  1  0.485824  0.055236  0.527152  1
  Fe  Fe39  1  0.576230  0.376042  0.542303  1
  Fe  Fe40  1  0.136376  0.876163  0.543276  1
  Fe  Fe41  1  0.234979  0.195991  0.557683  1
  Fe  Fe42  1  0.955300  0.556618  0.527359  1
  Fe  Fe43  1  0.090620  0.658629  0.602963  1
  Fe  Fe44  1  0.688411  0.018924  0.573393  1
  Fe  Fe45  1  0.849701  0.337145  0.588224  1
  Fe  Fe46  1  0.898525  0.840520  0.589320  1
  Fe  Fe47  1  0.097057  0.159409  0.604260  1
  Fe  Fe48  1  0.260747  0.515047  0.572146  1
  Fe  Fe49  1  0.790587  0.621865  0.648453  1
  Fe  Fe50  1  0.326188  0.980467  0.619381  1
  Fe  Fe51  1  0.551278  0.299559  0.634243  1
  Fe  Fe52  1  0.539117  0.800042  0.634153  1
  Fe  Fe53  1  0.771105  0.120829  0.649241  1
  Fe  Fe54  1  0.403056  0.479143  0.618554  1
  Fe  Fe55  1  0.479274  0.583411  0.692623  1
  Fe  Fe56  1  0.953571  0.941168  0.665019  1
  Fe  Fe57  1  0.201368  0.260990  0.679249  1
  Fe  Fe58  1  0.200027  0.760332  0.679238  1
  Fe  Fe59  1  0.459155  0.083460  0.693334  1
  Fe  Fe60  1  0.981882  0.442127  0.664101  1
