# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50188523
_cell_length_b   3.77838601
_cell_length_c   51.07345653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1447.67805236
_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  0.165725  0.711361  0.216066  1
  H  H2  1  0.676145  0.113440  0.239732  1
  H  H3  1  0.911647  0.601050  0.240410  1
  H  H4  1  0.429901  0.678883  0.240237  1
  H  H5  1  0.177316  0.204091  0.241521  1
  H  H6  1  0.671681  0.610001  0.267348  1
  H  H7  1  0.924815  0.101408  0.266621  1
  H  H8  1  0.427075  0.182421  0.266773  1
  H  H9  1  0.172764  0.699558  0.266407  1
  H  H10  1  0.675484  0.107137  0.291822  1
  H  H11  1  0.924133  0.601086  0.291557  1
  H  H12  1  0.421732  0.686942  0.291659  1
  H  H13  1  0.175192  0.198842  0.291493  1
  H  H14  1  0.673238  0.606183  0.316595  1
  H  H15  1  0.925379  0.101754  0.316526  1
  H  H16  1  0.424953  0.189023  0.316549  1
  H  H17  1  0.173004  0.697914  0.316450  1
  H  H18  1  0.674718  0.104970  0.341461  1
  H  H19  1  0.923656  0.601712  0.341415  1
  H  H20  1  0.423550  0.690835  0.341427  1
  H  H21  1  0.174704  0.197534  0.341423  1
  H  H22  1  0.673621  0.604510  0.366453  1
  H  H23  1  0.924699  0.102208  0.366401  1
  H  H24  1  0.424740  0.191679  0.366418  1
  H  H25  1  0.173627  0.696758  0.366381  1
  H  H26  1  0.674412  0.103861  0.391399  1
  H  H27  1  0.924018  0.602357  0.391366  1
  H  H28  1  0.423896  0.692533  0.391380  1
  H  H29  1  0.174391  0.196457  0.391355  1
  H  H30  1  0.673867  0.603594  0.416347  1
  H  H31  1  0.924537  0.102754  0.416333  1
  H  H32  1  0.424467  0.192854  0.416341  1
  H  H33  1  0.173850  0.696062  0.416325  1
  H  H34  1  0.674241  0.103253  0.441298  1
  H  H35  1  0.924123  0.603004  0.441293  1
  H  H36  1  0.424105  0.693101  0.441299  1
  H  H37  1  0.174235  0.195933  0.441288  1
  H  H38  1  0.673960  0.603103  0.466258  1
  H  H39  1  0.924354  0.103457  0.466255  1
  H  H40  1  0.424400  0.193004  0.466260  1
  H  H41  1  0.173951  0.695755  0.466244  1
  H  H42  1  0.674145  0.102934  0.491222  1
  H  H43  1  0.924134  0.603973  0.491219  1
  H  H44  1  0.424193  0.692757  0.491221  1
  H  H45  1  0.174127  0.195701  0.491193  1
  H  H46  1  0.673953  0.602881  0.516183  1
  H  H47  1  0.924394  0.104785  0.516188  1
  H  H48  1  0.424164  0.192126  0.516189  1
  H  H49  1  0.173980  0.695555  0.516151  1
  H  H50  1  0.674010  0.102944  0.541093  1
  H  H51  1  0.924152  0.605892  0.541167  1
  H  H52  1  0.424096  0.691057  0.541176  1
  H  H53  1  0.174063  0.195435  0.541154  1
  H  H54  1  0.673867  0.603342  0.566092  1
  H  H55  1  0.923807  0.107681  0.566140  1
  H  H56  1  0.424483  0.189310  0.566157  1
  H  H57  1  0.173893  0.695175  0.566038  1
  H  H58  1  0.674046  0.104378  0.591099  1
  H  H59  1  0.922649  0.610680  0.591065  1
  H  H60  1  0.425303  0.686818  0.591063  1
  H  H61  1  0.173673  0.194635  0.590800  1
  H  H62  1  0.673397  0.605241  0.616221  1
  H  H63  1  0.927641  0.115294  0.616016  1
  H  H64  1  0.420110  0.182715  0.616016  1
  H  H65  1  0.173959  0.692139  0.615481  1
  H  H66  1  0.672988  0.106612  0.639311  1
  H  H67  1  0.933315  0.619521  0.641369  1
  H  H68  1  0.413546  0.674361  0.641685  1
  H  H69  1  0.174743  0.185458  0.643282  1
  H  H70  1  0.675083  0.617696  0.666428  1
  H  H71  1  0.902835  0.120276  0.667798  1
  H  H72  1  0.445568  0.163214  0.668112  1
