# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96588595
_cell_length_b   7.99673506
_cell_length_c   46.06586596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.63599640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1415.26917031
_cell_formula_units_Z   36
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  0.143936  0.899663  0.270266  1
  H  H2  1  0.936885  0.382984  0.280835  1
  H  H3  1  0.653115  0.145679  0.274214  1
  H  H4  1  0.429533  0.621041  0.286243  1
  H  H5  1  0.666651  0.867542  0.295786  1
  H  H6  1  0.439080  0.358091  0.308760  1
  H  H7  1  0.185085  0.117204  0.301481  1
  H  H8  1  0.951334  0.603455  0.313187  1
  H  H9  1  0.186183  0.845424  0.321490  1
  H  H10  1  0.949100  0.335851  0.333916  1
  H  H11  1  0.711032  0.090471  0.326191  1
  H  H12  1  0.474358  0.581643  0.338605  1
  H  H13  1  0.704957  0.823323  0.346790  1
  H  H14  1  0.467381  0.312077  0.359343  1
  H  H15  1  0.234157  0.068953  0.351508  1
  H  H16  1  0.997011  0.558391  0.363847  1
  H  H17  1  0.225826  0.800633  0.372152  1
  H  H18  1  0.987326  0.289564  0.384693  1
  H  H19  1  0.757308  0.046401  0.376552  1
  H  H20  1  0.519032  0.535371  0.389090  1
  H  H21  1  0.747371  0.777904  0.397461  1
  H  H22  1  0.508759  0.266598  0.410055  1
  H  H23  1  0.279513  0.024015  0.401812  1
  H  H24  1  0.040849  0.512573  0.414368  1
  H  H25  1  0.269240  0.755135  0.422780  1
  H  H26  1  0.030317  0.243837  0.435393  1
  H  H27  1  0.801416  1.001214  0.427070  1
  H  H28  1  0.562480  0.489814  0.439677  1
  H  H29  1  0.791069  0.732348  0.448090  1
  H  H30  1  0.552035  0.221010  0.460720  1
  H  H31  1  0.323170  0.978453  0.452370  1
  H  H32  1  0.084142  0.467056  0.464991  1
  H  H33  1  0.312841  0.709579  0.473406  1
  H  H34  1  0.073761  0.198219  0.486038  1
  H  H35  1  0.844906  0.955661  0.477673  1
  H  H36  1  0.605839  0.444280  0.490305  1
  H  H37  1  0.834565  0.686810  0.498720  1
  H  H38  1  0.595499  0.175429  0.511352  1
  H  H39  1  0.366644  0.932871  0.502987  1
  H  H40  1  0.127564  0.421511  0.515620  1
  H  H41  1  0.356263  0.664034  0.524035  1
  H  H42  1  0.117234  0.152637  0.536655  1
  H  H43  1  0.888370  0.910079  0.528306  1
  H  H44  1  0.649336  0.398742  0.540936  1
  H  H45  1  0.877924  0.641276  0.549349  1
  H  H46  1  0.638989  0.129876  0.561956  1
  H  H47  1  0.410088  0.887253  0.553632  1
  H  H48  1  0.171165  0.375955  0.566246  1
  H  H49  1  0.399555  0.618517  0.574658  1
  H  H50  1  0.160892  0.107074  0.587214  1
  H  H51  1  0.931646  0.864492  0.578970  1
  H  H52  1  0.693034  0.353186  0.591565  1
  H  H53  1  0.921373  0.595719  0.599936  1
  H  H54  1  0.683097  0.084689  0.612474  1
  H  H55  1  0.453079  0.841526  0.604333  1
  H  H56  1  0.214579  0.330457  0.616873  1
  H  H57  1  0.443394  0.572698  0.625179  1
  H  H58  1  0.206247  0.062137  0.637517  1
  H  H59  1  0.973024  0.819013  0.629683  1
  H  H60  1  0.735448  0.307767  0.642236  1
  H  H61  1  0.966047  0.549447  0.650420  1
  H  H62  1  0.729373  0.040619  0.662835  1
  H  H63  1  0.491305  0.795239  0.655110  1
  H  H64  1  0.254222  0.285666  0.667535  1
  H  H65  1  0.489071  0.527635  0.675838  1
  H  H66  1  0.255320  0.013885  0.687545  1
  H  H67  1  1.001325  0.772999  0.680266  1
  H  H68  1  0.773754  0.263548  0.693240  1
  H  H69  1  0.010872  0.510048  0.702783  1
  H  H70  1  0.787290  0.985411  0.714811  1
  H  H71  1  0.503520  0.748106  0.708190  1
  H  H72  1  0.296469  0.231427  0.718760  1
