# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42881399
_cell_length_b   4.83814071
_cell_length_c   52.42318656
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe48 C16'
_cell_volume   1123.2834276
_cell_formula_units_Z   16
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  0.958441  0.177972  0.344714  1
  Fe  Fe2  1  0.595237  0.679864  0.279203  1
  Fe  Fe3  1  0.458447  0.313850  0.344766  1
  Fe  Fe4  1  0.095382  0.810938  0.279204  1
  Fe  Fe5  1  0.778620  0.659406  0.322990  1
  Fe  Fe6  1  0.776105  0.153437  0.304275  1
  Fe  Fe7  1  0.278160  0.832970  0.365988  1
  Fe  Fe8  1  0.265064  0.337071  0.261034  1
  Fe  Fe9  1  0.276172  0.337201  0.304306  1
  Fe  Fe10  1  0.278849  0.832325  0.322980  1
  Fe  Fe11  1  0.765318  0.153986  0.261027  1
  Fe  Fe12  1  0.778283  0.658825  0.365988  1
  Fe  Fe13  1  0.958293  0.178308  0.468435  1
  Fe  Fe14  1  0.582466  0.679026  0.406490  1
  Fe  Fe15  1  0.459422  0.315328  0.468404  1
  Fe  Fe16  1  0.082201  0.814173  0.406459  1
  Fe  Fe17  1  0.778427  0.658705  0.446968  1
  Fe  Fe18  1  0.762532  0.158918  0.427918  1
  Fe  Fe19  1  0.278974  0.833516  0.489872  1
  Fe  Fe20  1  0.262112  0.333664  0.384970  1
  Fe  Fe21  1  0.262454  0.334151  0.427936  1
  Fe  Fe22  1  0.277584  0.832420  0.446849  1
  Fe  Fe23  1  0.761819  0.159526  0.384968  1
  Fe  Fe24  1  0.779273  0.653104  0.490275  1
  Fe  Fe25  1  0.960174  0.176472  0.592297  1
  Fe  Fe26  1  0.584863  0.675836  0.530507  1
  Fe  Fe27  1  0.460244  0.311441  0.592382  1
  Fe  Fe28  1  0.084851  0.810631  0.530347  1
  Fe  Fe29  1  0.779992  0.656239  0.570898  1
  Fe  Fe30  1  0.764043  0.155642  0.551912  1
  Fe  Fe31  1  0.280517  0.831072  0.613851  1
  Fe  Fe32  1  0.263830  0.330628  0.508910  1
  Fe  Fe33  1  0.264422  0.329766  0.551944  1
  Fe  Fe34  1  0.280310  0.831558  0.570881  1
  Fe  Fe35  1  0.764231  0.156874  0.508889  1
  Fe  Fe36  1  0.780770  0.656788  0.613852  1
  Fe  Fe37  1  0.947360  0.179452  0.719606  1
  Fe  Fe38  1  0.584318  0.676779  0.654049  1
  Fe  Fe39  1  0.447292  0.310569  0.719605  1
  Fe  Fe40  1  0.084305  0.812641  0.654104  1
  Fe  Fe41  1  0.766582  0.653236  0.694537  1
  Fe  Fe42  1  0.763906  0.158194  0.675834  1
  Fe  Fe43  1  0.277464  0.836501  0.737787  1
  Fe  Fe44  1  0.264459  0.331874  0.632836  1
  Fe  Fe45  1  0.264149  0.331179  0.675829  1
  Fe  Fe46  1  0.266697  0.837021  0.694545  1
  Fe  Fe47  1  0.764553  0.157735  0.632830  1
  Fe  Fe48  1  0.777621  0.653311  0.737780  1
  C  C49  1  0.109715  0.550244  0.344498  1
  C  C50  1  0.439737  0.048379  0.283236  1
  C  C51  1  0.609699  0.941570  0.344511  1
  C  C52  1  0.939815  0.442686  0.283272  1
  C  C53  1  0.109879  0.550463  0.468463  1
  C  C54  1  0.430488  0.051035  0.406469  1
  C  C55  1  0.609050  0.942639  0.468259  1
  C  C56  1  0.930644  0.442023  0.406459  1
  C  C57  1  0.112115  0.548504  0.592344  1
  C  C58  1  0.432855  0.047866  0.530364  1
  C  C59  1  0.612059  0.939376  0.592367  1
  C  C60  1  0.932905  0.438597  0.530480  1
  C  C61  1  0.102975  0.547762  0.715539  1
  C  C62  1  0.433029  0.049034  0.654303  1
  C  C63  1  0.602977  0.942202  0.715569  1
  C  C64  1  0.933022  0.440373  0.654328  1
