# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78103977
_cell_length_b   5.41082054
_cell_length_c   46.45521831
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.88029128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C40
_cell_volume   675.601690904
_cell_formula_units_Z   40
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  0.318648  0.641957  0.310648  1
  C  C2  1  0.050347  0.105436  0.317595  1
  C  C3  1  0.801797  0.608244  0.289103  1
  C  C4  1  0.061375  0.127463  0.280283  1
  C  C5  1  0.711743  0.428153  0.355612  1
  C  C6  1  0.443807  0.892320  0.363265  1
  C  C7  1  0.194899  0.394461  0.334305  1
  C  C8  1  0.465039  0.934726  0.326590  1
  C  C9  1  0.105546  0.215744  0.400981  1
  C  C10  1  0.837518  0.679721  0.408627  1
  C  C11  1  0.589363  0.183374  0.379801  1
  C  C12  1  0.857440  0.719498  0.372085  1
  C  C13  1  0.499246  0.003127  0.446371  1
  C  C14  1  0.231249  0.467163  0.454057  1
  C  C15  1  0.983107  0.970843  0.425260  1
  C  C16  1  0.251170  0.506937  0.417578  1
  C  C17  1  0.892979  0.790573  0.491798  1
  C  C18  1  0.624989  0.254624  0.499483  1
  C  C19  1  0.376870  0.758349  0.470711  1
  C  C20  1  0.644853  0.294285  0.463027  1
  C  C21  1  0.286711  0.578018  0.537237  1
  C  C22  1  0.018727  0.042082  0.544921  1
  C  C23  1  0.770602  0.545795  0.516150  1
  C  C24  1  0.038592  0.081743  0.508464  1
  C  C25  1  0.680474  0.365524  0.582688  1
  C  C26  1  0.412411  0.829430  0.590370  1
  C  C27  1  0.164334  0.333240  0.561577  1
  C  C28  1  0.432332  0.869204  0.553891  1
  C  C29  1  0.074218  0.152993  0.628147  1
  C  C30  1  0.806141  0.616869  0.635862  1
  C  C31  1  0.558035  0.120623  0.606966  1
  C  C32  1  0.826063  0.656646  0.599320  1
  C  C33  1  0.468681  0.941907  0.673643  1
  C  C34  1  0.198541  0.401641  0.681357  1
  C  C35  1  0.951838  0.908214  0.652336  1
  C  C36  1  0.219774  0.444047  0.644683  1
  C  C37  1  0.861783  0.728124  0.718845  1
  C  C38  1  0.602206  0.208904  0.727664  1
  C  C39  1  0.344933  0.694410  0.697300  1
  C  C40  1  0.613234  0.230931  0.690353  1
