# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55346658
_cell_length_b   4.74850949
_cell_length_c   47.95120398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.66389843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1484.91801579
_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  0.456976  0.964417  0.289373  1
  Fe  Fe2  1  0.813705  0.886630  0.304370  1
  Fe  Fe3  1  0.165137  0.797566  0.319506  1
  Fe  Fe4  1  0.570566  0.479568  0.286916  1
  Fe  Fe5  1  0.922112  0.393916  0.301741  1
  Fe  Fe6  1  0.270235  0.311577  0.317012  1
  Fe  Fe7  1  0.517517  0.707310  0.334201  1
  Fe  Fe8  1  0.866467  0.617789  0.348385  1
  Fe  Fe9  1  0.217027  0.529621  0.363098  1
  Fe  Fe10  1  0.620306  0.220878  0.331851  1
  Fe  Fe11  1  0.971355  0.133125  0.346633  1
  Fe  Fe12  1  0.323671  0.044073  0.360761  1
  Fe  Fe13  1  0.567617  0.440533  0.377635  1
  Fe  Fe14  1  0.917716  0.352612  0.392142  1
  Fe  Fe15  1  0.268338  0.263321  0.406527  1
  Fe  Fe16  1  0.674709  0.954805  0.375324  1
  Fe  Fe17  1  0.025676  0.866167  0.389707  1
  Fe  Fe18  1  0.376596  0.777935  0.404152  1
  Fe  Fe19  1  0.619041  0.174718  0.421042  1
  Fe  Fe20  1  0.969855  0.086091  0.435471  1
  Fe  Fe21  1  0.320591  0.997488  0.449924  1
  Fe  Fe22  1  0.727422  0.689480  0.418665  1
  Fe  Fe23  1  0.078366  0.600872  0.433087  1
  Fe  Fe24  1  0.429041  0.512238  0.447516  1
  Fe  Fe25  1  0.671361  0.908844  0.464403  1
  Fe  Fe26  1  0.022126  0.820244  0.478838  1
  Fe  Fe27  1  0.372894  0.731612  0.493281  1
  Fe  Fe28  1  0.779910  0.423609  0.461979  1
  Fe  Fe29  1  0.130667  0.335001  0.476424  1
  Fe  Fe30  1  0.481452  0.246467  0.490865  1
  Fe  Fe31  1  0.723714  0.642967  0.507747  1
  Fe  Fe32  1  0.074500  0.554433  0.522187  1
  Fe  Fe33  1  0.425257  0.465825  0.536632  1
  Fe  Fe34  1  0.832273  0.157822  0.505330  1
  Fe  Fe35  1  0.183040  0.069190  0.519774  1
  Fe  Fe36  1  0.533806  0.980590  0.534208  1
  Fe  Fe37  1  0.776126  0.377196  0.551096  1
  Fe  Fe38  1  0.126801  0.288561  0.565525  1
  Fe  Fe39  1  0.477745  0.199953  0.579946  1
  Fe  Fe40  1  0.884575  0.891946  0.548688  1
  Fe  Fe41  1  0.235312  0.803343  0.563140  1
  Fe  Fe42  1  0.586126  0.714716  0.577570  1
  Fe  Fe43  1  0.828571  0.111499  0.594460  1
  Fe  Fe44  1  0.179491  0.023267  0.608904  1
  Fe  Fe45  1  0.530457  0.934629  0.623288  1
  Fe  Fe46  1  0.936828  0.626113  0.592085  1
  Fe  Fe47  1  0.287450  0.536821  0.606469  1
  Fe  Fe48  1  0.637550  0.448901  0.620976  1
  Fe  Fe49  1  0.881495  0.845360  0.637851  1
  Fe  Fe50  1  0.233812  0.756309  0.651978  1
  Fe  Fe51  1  0.584860  0.668555  0.666761  1
  Fe  Fe52  1  0.988140  0.359813  0.635514  1
  Fe  Fe53  1  0.338700  0.271644  0.650226  1
  Fe  Fe54  1  0.687650  0.182124  0.664411  1
  Fe  Fe55  1  0.934931  0.577857  0.681599  1
  Fe  Fe56  1  0.283054  0.495517  0.696871  1
  Fe  Fe57  1  0.634601  0.409866  0.711696  1
  Fe  Fe58  1  0.040030  0.091868  0.679105  1
  Fe  Fe59  1  0.391462  0.002804  0.694242  1
  Fe  Fe60  1  0.748191  0.925016  0.709239  1
