# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82547317
_cell_length_b   9.96287220
_cell_length_c   48.23295045
_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   H90
_cell_volume   1838.2879867
_cell_formula_units_Z   45
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  0.754234  0.221974  0.290472  1
  H  H2  1  0.754234  0.995358  0.270215  1
  H  H3  1  0.754234  0.604774  0.279008  1
  H  H4  1  0.254234  0.370354  0.284368  1
  H  H5  1  0.254234  0.143494  0.266722  1
  H  H6  1  0.254234  0.761342  0.274959  1
  H  H7  1  0.754234  0.036392  0.320440  1
  H  H8  1  0.754234  0.819655  0.301337  1
  H  H9  1  0.754234  0.430533  0.311063  1
  H  H10  1  0.254234  0.178146  0.315798  1
  H  H11  1  0.254234  0.965101  0.297555  1
  H  H12  1  0.254234  0.575860  0.306195  1
  H  H13  1  0.754234  0.850685  0.350253  1
  H  H14  1  0.754234  0.639888  0.330730  1
  H  H15  1  0.754234  0.245239  0.340372  1
  H  H16  1  0.254234  0.989659  0.345599  1
  H  H17  1  0.254234  0.780617  0.326327  1
  H  H18  1  0.254234  0.385193  0.335254  1
  H  H19  1  0.754234  0.662737  0.379660  1
  H  H20  1  0.754234  0.453984  0.360128  1
  H  H21  1  0.754234  0.058705  0.369901  1
  H  H22  1  0.254234  0.799890  0.374715  1
  H  H23  1  0.254234  0.591866  0.355132  1
  H  H24  1  0.254234  0.196689  0.364735  1
  H  H25  1  0.754234  0.474223  0.409074  1
  H  H26  1  0.754234  0.266408  0.389519  1
  H  H27  1  0.754234  0.870483  0.399331  1
  H  H28  1  0.254234  0.610895  0.403758  1
  H  H29  1  0.254234  0.403435  0.384169  1
  H  H30  1  0.254234  0.007473  0.394074  1
  H  H31  1  0.754234  0.285703  0.438466  1
  H  H32  1  0.754234  0.078088  0.418911  1
  H  H33  1  0.754234  0.681855  0.428653  1
  H  H34  1  0.254234  0.422450  0.433036  1
  H  H35  1  0.254234  0.214947  0.413520  1
  H  H36  1  0.254234  0.818591  0.423346  1
  H  H37  1  0.754234  0.097124  0.467821  1
  H  H38  1  0.754234  0.889490  0.448255  1
  H  H39  1  0.754234  0.493287  0.458018  1
  H  H40  1  0.254234  0.233909  0.462391  1
  H  H41  1  0.254234  0.026288  0.442859  1
  H  H42  1  0.254234  0.630029  0.452607  1
  H  H43  1  0.754234  0.908535  0.497141  1
  H  H44  1  0.754234  0.700889  0.477580  1
  H  H45  1  0.754234  0.304720  0.487382  1
  H  H46  1  0.254234  0.045320  0.491739  1
  H  H47  1  0.254234  0.837674  0.472179  1
  H  H48  1  0.254234  0.441489  0.481938  1
  H  H49  1  0.754234  0.719921  0.526461  1
  H  H50  1  0.754234  0.512300  0.506929  1
  H  H51  1  0.754234  0.116180  0.516712  1
  H  H52  1  0.254234  0.856719  0.521064  1
  H  H53  1  0.254234  0.649086  0.501498  1
  H  H54  1  0.254234  0.252922  0.511302  1
  H  H55  1  0.754234  0.531262  0.555800  1
  H  H56  1  0.754234  0.323759  0.536284  1
  H  H57  1  0.754234  0.927618  0.545973  1
  H  H58  1  0.254234  0.668121  0.550409  1
  H  H59  1  0.254234  0.460506  0.530854  1
  H  H60  1  0.254234  0.064354  0.540666  1
  H  H61  1  0.754234  0.342774  0.585151  1
  H  H62  1  0.754234  0.135314  0.565562  1
  H  H63  1  0.754234  0.738736  0.575246  1
  H  H64  1  0.254234  0.479801  0.579801  1
  H  H65  1  0.254234  0.271987  0.560246  1
  H  H66  1  0.254234  0.875726  0.569988  1
  H  H67  1  0.754234  0.154343  0.614188  1
  H  H68  1  0.754234  0.946319  0.594605  1
  H  H69  1  0.754234  0.549520  0.604585  1
  H  H70  1  0.254234  0.292225  0.609191  1
  H  H71  1  0.254234  0.083472  0.589660  1
  H  H72  1  0.254234  0.687505  0.599419  1
  H  H73  1  0.754234  0.965592  0.642992  1
  H  H74  1  0.754234  0.756550  0.623721  1
  H  H75  1  0.754234  0.361016  0.634066  1
  H  H76  1  0.254234  0.106321  0.638590  1
  H  H77  1  0.254234  0.895524  0.619066  1
  H  H78  1  0.254234  0.500971  0.628948  1
  H  H79  1  0.754234  0.781109  0.671764  1
  H  H80  1  0.754234  0.568063  0.653522  1
  H  H81  1  0.754234  0.170349  0.663125  1
  H  H82  1  0.254234  0.926554  0.667983  1
  H  H83  1  0.254234  0.709817  0.648880  1
  H  H84  1  0.254234  0.315677  0.658257  1
  H  H85  1  0.754234  0.602715  0.702597  1
  H  H86  1  0.754234  0.375856  0.684951  1
  H  H87  1  0.754234  0.984867  0.694360  1
  H  H88  1  0.254234  0.750851  0.699105  1
  H  H89  1  0.254234  0.524235  0.678847  1
  H  H90  1  0.254234  0.141436  0.690312  1
