# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94551493
_cell_length_b   13.33083671
_cell_length_c   46.16295790
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.35689784
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C96
_cell_volume   3024.71214134
_cell_formula_units_Z   96
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
  C  C1  1  0.193526  0.499522  0.310582  1
  C  C2  1  0.501409  0.128931  0.325132  1
  C  C3  1  0.868498  0.854311  0.289820  1
  C  C4  1  0.175328  0.854311  0.289820  1
  C  C5  1  0.502279  0.490904  0.306795  1
  C  C6  1  0.840677  0.128931  0.325132  1
  C  C7  1  0.654502  0.513865  0.272697  1
  C  C8  1  0.030557  0.172250  0.299079  1
  C  C9  1  0.339350  0.810993  0.315873  1
  C  C10  1  0.678618  0.810993  0.315873  1
  C  C11  1  -0.000804  0.454850  0.335638  1
  C  C12  1  0.337387  0.172250  0.299079  1
  C  C13  1  0.153947  0.405218  0.363703  1
  C  C14  1  0.476685  0.035923  0.381071  1
  C  C15  1  0.829518  0.763959  0.344161  1
  C  C16  1  0.160376  0.763958  0.344161  1
  C  C17  1  0.484905  0.404134  0.362934  1
  C  C18  1  0.809884  0.035923  0.381071  1
  C  C19  1  0.660764  0.449506  0.334909  1
  C  C20  1  0.991577  0.081897  0.353420  1
  C  C21  1  0.314626  0.717985  0.371812  1
  C  C22  1  0.647825  0.717985  0.371812  1
  C  C23  1  0.971836  0.358078  0.390930  1
  C  C24  1  0.322435  0.081897  0.353420  1
  C  C25  1  0.125825  0.310496  0.418659  1
  C  C26  1  0.449338  0.943466  0.436680  1
  C  C27  1  0.801161  0.671714  0.399642  1
  C  C28  1  0.133671  0.671714  0.399642  1
  C  C29  1  0.458377  0.310510  0.418478  1
  C  C30  1  0.782043  0.943466  0.436680  1
  C  C31  1  0.638578  0.357382  0.390836  1
  C  C32  1  0.963220  0.989652  0.408902  1
  C  C33  1  0.287278  0.625528  0.427421  1
  C  C34  1  0.619984  0.625528  0.427421  1
  C  C35  1  0.944356  0.263381  0.446220  1
  C  C36  1  0.295730  0.989652  0.408902  1
  C  C37  1  0.097859  0.216123  0.473902  1
  C  C38  1  0.421776  0.851051  0.492262  1
  C  C39  1  0.773514  0.579317  0.455214  1
  C  C40  1  0.106165  0.579317  0.455214  1
  C  C41  1  0.430530  0.216185  0.473844  1
  C  C42  1  0.754441  0.851051  0.492262  1
  C  C43  1  0.611636  0.263295  0.446211  1
  C  C44  1  0.935573  0.897255  0.464473  1
  C  C45  1  0.259717  0.533112  0.483003  1
  C  C46  1  0.592382  0.533112  0.483003  1
  C  C47  1  0.916521  0.168989  0.501528  1
  C  C48  1  0.268224  0.897255  0.464473  1
  C  C49  1  0.069839  0.121772  0.529212  1
  C  C50  1  0.394203  0.758640  0.547842  1
  C  C51  1  0.745927  0.486906  0.510793  1
  C  C52  1  0.078592  0.486906  0.510793  1
  C  C53  1  0.402509  0.121833  0.529154  1
  C  C54  1  0.726854  0.758640  0.547842  1
  C  C55  1  0.583847  0.168968  0.501528  1
  C  C56  1  0.907986  0.804844  0.520053  1
  C  C57  1  0.232144  0.440702  0.538582  1
  C  C58  1  0.564795  0.440702  0.538582  1
  C  C59  1  0.888731  0.074662  0.556844  1
  C  C60  1  0.240651  0.804844  0.520053  1
  C  C61  1  0.041991  0.027447  0.584577  1
  C  C62  1  0.366697  0.666243  0.603413  1
  C  C63  1  0.718325  0.394491  0.566376  1
  C  C64  1  0.051031  0.394491  0.566375  1
  C  C65  1  0.374543  0.027461  0.584396  1
  C  C66  1  0.699207  0.666243  0.603413  1
  C  C67  1  0.556012  0.074576  0.556836  1
  C  C68  1  0.880384  0.712429  0.575635  1
  C  C69  1  0.204638  0.348305  0.594154  1
  C  C70  1  0.537148  0.348305  0.594154  1
  C  C71  1  0.861790  0.980574  0.612219  1
  C  C72  1  0.213090  0.712429  0.575635  1
  C  C73  1  0.015463  0.933823  0.640122  1
  C  C74  1  0.339992  0.573998  0.658895  1
  C  C75  1  0.690484  0.302034  0.621985  1
  C  C76  1  0.023683  0.302034  0.621985  1
  C  C77  1  0.346421  0.932739  0.639353  1
  C  C78  1  0.670850  0.573998  0.658895  1
  C  C79  1  0.528532  0.979879  0.612126  1
  C  C80  1  0.852543  0.619972  0.631244  1
  C  C81  1  0.177933  0.256060  0.649636  1
  C  C82  1  0.508791  0.256060  0.649636  1
  C  C83  1  0.839604  0.888451  0.668147  1
  C  C84  1  0.185742  0.619972  0.631244  1
  C  C85  1  0.998090  0.847052  0.696261  1
  C  C86  1  0.325040  0.483645  0.713236  1
  C  C87  1  0.659691  0.209026  0.677924  1
  C  C88  1  0.998959  0.209026  0.677924  1
  C  C89  1  0.306842  0.838435  0.692474  1
  C  C90  1  0.631870  0.483645  0.713236  1
  C  C91  1  0.501172  0.883106  0.667418  1
  C  C92  1  0.821750  0.526964  0.687183  1
  C  C93  1  0.162981  0.165707  0.703976  1
  C  C94  1  0.469811  0.165707  0.703976  1
  C  C95  1  0.845866  0.824092  0.730358  1
  C  C96  1  0.161018  0.526964  0.687183  1
