# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79612027
_cell_length_b   5.80601908
_cell_length_c   46.97601024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.00038265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1420.86748914
_cell_formula_units_Z   42
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
  H  H1  1  0.815726  0.686261  0.288505  1
  H  H2  1  0.345831  0.656228  0.299143  1
  H  H3  1  0.315726  0.186261  0.288505  1
  H  H4  1  0.785621  0.216293  0.277867  1
  H  H5  1  0.869898  0.632219  0.307648  1
  H  H6  1  0.400003  0.602187  0.318286  1
  H  H7  1  0.369898  0.132219  0.307648  1
  H  H8  1  0.839793  0.162252  0.297010  1
  H  H9  1  0.933994  0.568278  0.330298  1
  H  H10  1  0.464099  0.538245  0.340936  1
  H  H11  1  0.433994  0.068278  0.330298  1
  H  H12  1  0.903889  0.098310  0.319659  1
  H  H13  1  0.992769  0.509644  0.351067  1
  H  H14  1  0.522874  0.479612  0.361705  1
  H  H15  1  0.492769  0.009644  0.351067  1
  H  H16  1  0.962663  0.039677  0.340429  1
  H  H17  1  0.053735  0.448825  0.372611  1
  H  H18  1  0.583840  0.418792  0.383249  1
  H  H19  1  0.553735  0.948825  0.372611  1
  H  H20  1  0.023630  0.978857  0.361973  1
  H  H21  1  0.113646  0.389058  0.393782  1
  H  H22  1  0.643751  0.359026  0.404420  1
  H  H23  1  0.613646  0.889058  0.393782  1
  H  H24  1  0.083541  0.919091  0.383144  1
  H  H25  1  0.174036  0.328813  0.415122  1
  H  H26  1  0.704141  0.298781  0.425761  1
  H  H27  1  0.674036  0.828813  0.415122  1
  H  H28  1  0.143931  0.858846  0.404484  1
  H  H29  1  0.234202  0.268792  0.436383  1
  H  H30  1  0.764308  0.238760  0.447022  1
  H  H31  1  0.734202  0.768792  0.436383  1
  H  H32  1  0.204097  0.798825  0.425745  1
  H  H33  1  0.294471  0.208668  0.457681  1
  H  H34  1  0.824576  0.178636  0.468319  1
  H  H35  1  0.794471  0.708668  0.457681  1
  H  H36  1  0.264366  0.738701  0.447042  1
  H  H37  1  0.354694  0.148590  0.478962  1
  H  H38  1  0.884799  0.118558  0.489600  1
  H  H39  1  0.854694  0.648590  0.478962  1
  H  H40  1  0.324589  0.678623  0.468324  1
  H  H41  1  0.414935  0.088495  0.500249  1
  H  H42  1  0.945040  0.058463  0.510888  1
  H  H43  1  0.914935  0.588495  0.500249  1
  H  H44  1  0.384830  0.618528  0.489611  1
  H  H45  1  0.475175  0.028400  0.521537  1
  H  H46  1  0.005280  0.998367  0.532175  1
  H  H47  1  0.975175  0.528400  0.521537  1
  H  H48  1  0.445070  0.558432  0.510898  1
  H  H49  1  0.535398  0.968322  0.542818  1
  H  H50  1  0.065503  0.938289  0.553456  1
  H  H51  1  0.035398  0.468322  0.542818  1
  H  H52  1  0.505293  0.498354  0.532179  1
  H  H53  1  0.595667  0.908198  0.564115  1
  H  H54  1  0.125772  0.878165  0.574753  1
  H  H55  1  0.095667  0.408198  0.564115  1
  H  H56  1  0.565562  0.438230  0.553477  1
  H  H57  1  0.655833  0.848177  0.585376  1
  H  H58  1  0.185938  0.818144  0.596015  1
  H  H59  1  0.155833  0.348177  0.585376  1
  H  H60  1  0.625728  0.378209  0.574738  1
  H  H61  1  0.716224  0.787932  0.606717  1
  H  H62  1  0.246329  0.757899  0.617355  1
  H  H63  1  0.216224  0.287932  0.606717  1
  H  H64  1  0.686119  0.317964  0.596078  1
  H  H65  1  0.776135  0.728165  0.627888  1
  H  H66  1  0.306240  0.698133  0.638526  1
  H  H67  1  0.276135  0.228165  0.627888  1
  H  H68  1  0.746030  0.258198  0.617249  1
  H  H69  1  0.837101  0.667346  0.649431  1
  H  H70  1  0.367206  0.637313  0.660070  1
  H  H71  1  0.337101  0.167346  0.649431  1
  H  H72  1  0.806996  0.197378  0.638793  1
  H  H73  1  0.895876  0.608712  0.670201  1
  H  H74  1  0.425981  0.578680  0.680839  1
  H  H75  1  0.395876  0.108712  0.670201  1
  H  H76  1  0.865771  0.138745  0.659563  1
  H  H77  1  0.959972  0.544771  0.692851  1
  H  H78  1  0.490077  0.514738  0.703489  1
  H  H79  1  0.459972  0.044771  0.692851  1
  H  H80  1  0.929867  0.074803  0.682212  1
  H  H81  1  0.014144  0.490729  0.711994  1
  H  H82  1  0.544249  0.460697  0.722632  1
  H  H83  1  0.514144  0.990729  0.711994  1
  H  H84  1  0.984039  0.020762  0.701355  1
