# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46010393
_cell_length_b   6.15773627
_cell_length_c   48.67010263
_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   Fe28
_cell_volume   737.287381169
_cell_formula_units_Z   28
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  0.708262  0.243674  0.293522  1
  Fe  Fe2  1  0.222556  0.971185  0.323309  1
  Fe  Fe3  1  0.988947  0.608288  0.307944  1
  Fe  Fe4  1  0.408170  0.335024  0.339898  1
  Fe  Fe5  1  0.645971  0.696412  0.354769  1
  Fe  Fe6  1  0.073400  0.422309  0.386534  1
  Fe  Fe7  1  0.870038  0.059410  0.370041  1
  Fe  Fe8  1  0.305197  0.784459  0.401396  1
  Fe  Fe9  1  0.528513  0.147816  0.416816  1
  Fe  Fe10  1  0.967486  0.873988  0.447747  1
  Fe  Fe11  1  0.729402  0.509733  0.433455  1
  Fe  Fe12  1  0.204182  0.234153  0.463757  1
  Fe  Fe13  1  0.337553  0.601517  0.479986  1
  Fe  Fe14  1  0.899452  0.321189  0.510878  1
  Fe  Fe15  1  0.685473  0.963233  0.494513  1
  Fe  Fe16  1  0.580331  0.674298  0.527432  1
  Fe  Fe17  1  0.326116  0.038608  0.541681  1
  Fe  Fe18  1  0.919659  0.763575  0.573637  1
  Fe  Fe19  1  0.158726  0.400050  0.558394  1
  Fe  Fe20  1  0.693211  0.126414  0.588760  1
  Fe  Fe21  1  0.485508  0.488516  0.604997  1
  Fe  Fe22  1  0.042430  0.213690  0.635900  1
  Fe  Fe23  1  0.258866  0.851560  0.620075  1
  Fe  Fe24  1  0.826218  0.576552  0.651592  1
  Fe  Fe25  1  0.591271  0.937933  0.666557  1
  Fe  Fe26  1  0.168812  0.664411  0.698433  1
  Fe  Fe27  1  0.399212  0.301382  0.682783  1
  Fe  Fe28  1  0.888601  0.029871  0.712839  1
