# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57912845
_cell_length_b   12.71065911
_cell_length_c   48.97087006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.16853389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1597.07599002
_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  0.065383  0.875016  0.302690  1
  Fe  Fe2  1  0.384453  0.236140  0.273909  1
  Fe  Fe3  1  0.229583  0.546914  0.287328  1
  Fe  Fe4  1  0.480042  0.045564  0.294087  1
  Fe  Fe5  1  0.317711  0.370483  0.311751  1
  Fe  Fe6  1  0.641441  0.723010  0.280191  1
  Fe  Fe7  1  0.581179  0.843425  0.348979  1
  Fe  Fe8  1  0.904339  0.197004  0.318623  1
  Fe  Fe9  1  0.742466  0.520951  0.333955  1
  Fe  Fe10  1  0.995331  0.015042  0.341051  1
  Fe  Fe11  1  0.834058  0.337628  0.357035  1
  Fe  Fe12  1  0.156728  0.692354  0.326426  1
  Fe  Fe13  1  0.096939  0.811852  0.394491  1
  Fe  Fe14  1  0.420143  0.165467  0.363992  1
  Fe  Fe15  1  0.258372  0.489027  0.379465  1
  Fe  Fe16  1  0.510973  0.983717  0.386629  1
  Fe  Fe17  1  0.349682  0.306292  0.402033  1
  Fe  Fe18  1  0.672325  0.661065  0.371704  1
  Fe  Fe19  1  0.612629  0.780396  0.439895  1
  Fe  Fe20  1  0.935667  0.134374  0.409539  1
  Fe  Fe21  1  0.774120  0.457451  0.424810  1
  Fe  Fe22  1  0.026601  0.952384  0.432094  1
  Fe  Fe23  1  0.865237  0.275091  0.447298  1
  Fe  Fe24  1  0.188026  0.629574  0.417059  1
  Fe  Fe25  1  0.128306  0.748955  0.485272  1
  Fe  Fe26  1  0.451249  0.103130  0.454985  1
  Fe  Fe27  1  0.289795  0.426016  0.470162  1
  Fe  Fe28  1  0.542250  0.921000  0.477507  1
  Fe  Fe29  1  0.380838  0.243798  0.492662  1
  Fe  Fe30  1  0.703714  0.598107  0.462416  1
  Fe  Fe31  1  0.643982  0.717513  0.530634  1
  Fe  Fe32  1  0.966859  0.071823  0.500388  1
  Fe  Fe33  1  0.805447  0.394621  0.515543  1
  Fe  Fe34  1  0.057902  0.889605  0.522888  1
  Fe  Fe35  1  0.896447  0.212491  0.538065  1
  Fe  Fe36  1  0.219390  0.566665  0.507778  1
  Fe  Fe37  1  0.159670  0.686047  0.575991  1
  Fe  Fe38  1  0.482459  0.040530  0.545752  1
  Fe  Fe39  1  0.321095  0.363237  0.560956  1
  Fe  Fe40  1  0.573577  0.858170  0.568241  1
  Fe  Fe41  1  0.412030  0.181247  0.583511  1
  Fe  Fe42  1  0.735068  0.535225  0.553155  1
  Fe  Fe43  1  0.675371  0.654556  0.621347  1
  Fe  Fe44  1  0.998015  0.009329  0.591017  1
  Fe  Fe45  1  0.836724  0.331904  0.606421  1
  Fe  Fe46  1  0.089325  0.826593  0.613585  1
  Fe  Fe47  1  0.927554  0.150153  0.629058  1
  Fe  Fe48  1  0.250758  0.503768  0.598559  1
  Fe  Fe49  1  0.190968  0.623267  0.666625  1
  Fe  Fe50  1  0.513639  0.977993  0.636015  1
  Fe  Fe51  1  0.352365  0.300579  0.651999  1
  Fe  Fe52  1  0.605231  0.794670  0.659095  1
  Fe  Fe53  1  0.443357  0.118617  0.674428  1
  Fe  Fe54  1  0.766518  0.472196  0.644071  1
  Fe  Fe55  1  0.706255  0.592610  0.712859  1
  Fe  Fe56  1  0.029986  0.945138  0.681300  1
  Fe  Fe57  1  0.867654  0.270057  0.698964  1
  Fe  Fe58  1  0.118113  0.768707  0.705722  1
  Fe  Fe59  1  0.963244  0.079480  0.719141  1
  Fe  Fe60  1  0.282313  0.440604  0.690360  1
