# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57964722
_cell_length_b   13.24277535
_cell_length_c   46.79128135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1598.46918188
_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  1.002654  0.399745  0.277047  1
  Fe  Fe2  1  1.002654  0.695373  0.307394  1
  Fe  Fe3  1  0.502654  0.046758  0.291573  1
  Fe  Fe4  1  0.502654  0.568509  0.276960  1
  Fe  Fe5  1  0.502654  0.860568  0.305992  1
  Fe  Fe6  1  1.002654  0.213594  0.291707  1
  Fe  Fe7  1  0.502654  0.341707  0.323007  1
  Fe  Fe8  1  0.502654  0.637166  0.353528  1
  Fe  Fe9  1  1.002654  0.988700  0.337673  1
  Fe  Fe10  1  1.002654  0.508772  0.323515  1
  Fe  Fe11  1  1.002654  0.803807  0.353087  1
  Fe  Fe12  1  0.502654  0.155934  0.338206  1
  Fe  Fe13  1  1.002654  0.284299  0.368373  1
  Fe  Fe14  1  1.002654  0.579477  0.398829  1
  Fe  Fe15  1  0.502654  0.931841  0.383250  1
  Fe  Fe16  1  0.502654  0.451052  0.368504  1
  Fe  Fe17  1  0.502654  0.746466  0.398574  1
  Fe  Fe18  1  1.002654  0.098417  0.383286  1
  Fe  Fe19  1  0.502654  0.226836  0.413722  1
  Fe  Fe20  1  0.502654  0.522097  0.444100  1
  Fe  Fe21  1  1.002654  0.874662  0.428837  1
  Fe  Fe22  1  1.002654  0.393690  0.413713  1
  Fe  Fe23  1  1.002654  0.689071  0.443935  1
  Fe  Fe24  1  0.502654  0.041314  0.428622  1
  Fe  Fe25  1  1.002654  0.169564  0.459064  1
  Fe  Fe26  1  1.002654  0.464814  0.489406  1
  Fe  Fe27  1  0.502654  0.817279  0.474270  1
  Fe  Fe28  1  0.502654  0.336441  0.458997  1
  Fe  Fe29  1  0.502654  0.631711  0.489285  1
  Fe  Fe30  1  1.002654  0.984090  0.474039  1
  Fe  Fe31  1  0.502654  0.112302  0.504425  1
  Fe  Fe32  1  0.502654  0.407571  0.534714  1
  Fe  Fe33  1  1.002654  0.759922  0.519672  1
  Fe  Fe34  1  1.002654  0.279198  0.504304  1
  Fe  Fe35  1  1.002654  0.574448  0.534646  1
  Fe  Fe36  1  0.502654  0.926733  0.519440  1
  Fe  Fe37  1  1.002654  0.054941  0.549775  1
  Fe  Fe38  1  1.002654  0.350322  0.579997  1
  Fe  Fe39  1  0.502654  0.702699  0.565088  1
  Fe  Fe40  1  0.502654  0.221916  0.549610  1
  Fe  Fe41  1  0.502654  0.517176  0.579989  1
  Fe  Fe42  1  1.002654  0.869351  0.564873  1
  Fe  Fe43  1  0.502654  0.997546  0.595136  1
  Fe  Fe44  1  0.502654  0.292960  0.625206  1
  Fe  Fe45  1  1.002654  0.645595  0.610424  1
  Fe  Fe46  1  1.002654  0.164536  0.594881  1
  Fe  Fe47  1  1.002654  0.459714  0.625337  1
  Fe  Fe48  1  0.502654  0.812171  0.610460  1
  Fe  Fe49  1  1.002654  0.940205  0.640623  1
  Fe  Fe50  1  1.002654  0.235240  0.670196  1
  Fe  Fe51  1  0.502654  0.588078  0.655504  1
  Fe  Fe52  1  0.502654  0.106847  0.640182  1
  Fe  Fe53  1  0.502654  0.402305  0.670704  1
  Fe  Fe54  1  1.002654  0.755312  0.656037  1
  Fe  Fe55  1  0.502654  0.883444  0.687718  1
  Fe  Fe56  1  0.502654  0.175503  0.716751  1
  Fe  Fe57  1  1.002654  0.530419  0.702004  1
  Fe  Fe58  1  1.002654  0.048639  0.686316  1
  Fe  Fe59  1  1.002654  0.344267  0.716663  1
  Fe  Fe60  1  0.502654  0.697254  0.702137  1
