# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22268587
_cell_length_b   22.77929533
_cell_length_c   49.18011211
_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   H120
_cell_volume   2490.04897509
_cell_formula_units_Z   60
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  0.747620  0.801272  0.263723  1
  H  H2  1  0.747620  0.120149  0.292211  1
  H  H3  1  0.747620  0.463523  0.278166  1
  H  H4  1  0.247620  0.710441  0.277868  1
  H  H5  1  0.247620  0.029431  0.306718  1
  H  H6  1  0.247620  0.372049  0.292232  1
  H  H7  1  0.747620  0.621651  0.293067  1
  H  H8  1  0.747620  0.957696  0.277862  1
  H  H9  1  0.747620  0.281489  0.307079  1
  H  H10  1  0.247620  0.869279  0.293039  1
  H  H11  1  0.247620  0.211576  0.278244  1
  H  H12  1  0.247620  0.553712  0.263845  1
  H  H13  1  0.747620  0.779153  0.308411  1
  H  H14  1  0.747620  0.098970  0.336989  1
  H  H15  1  0.747620  0.440609  0.322771  1
  H  H16  1  0.247620  0.689795  0.322976  1
  H  H17  1  0.247620  1.008645  0.351694  1
  H  H18  1  0.247620  0.350070  0.337181  1
  H  H19  1  0.747620  0.599673  0.337737  1
  H  H20  1  0.747620  0.938757  0.322831  1
  H  H21  1  0.747620  0.259254  0.351774  1
  H  H22  1  0.247620  0.848619  0.337619  1
  H  H23  1  0.247620  0.189628  0.322704  1
  H  H24  1  0.247620  0.531054  0.308568  1
  H  H25  1  0.747620  0.758342  0.352681  1
  H  H26  1  0.747620  0.077570  0.381508  1
  H  H27  1  0.747620  0.418306  0.367143  1
  H  H28  1  0.247620  0.668051  0.367476  1
  H  H29  1  0.247620  0.987273  0.396459  1
  H  H30  1  0.247620  0.327792  0.381704  1
  H  H31  1  0.747620  0.577665  0.382281  1
  H  H32  1  0.747620  0.918027  0.367117  1
  H  H33  1  0.747620  0.237338  0.396436  1
  H  H34  1  0.247620  0.827513  0.382147  1
  H  H35  1  0.247620  0.168205  0.366817  1
  H  H36  1  0.247620  0.508942  0.352661  1
  H  H37  1  0.747620  0.736952  0.397135  1
  H  H38  1  0.747620  0.056239  0.426136  1
  H  H39  1  0.747620  0.396521  0.411676  1
  H  H40  1  0.247620  0.646436  0.411994  1
  H  H41  1  0.247620  0.965775  0.441097  1
  H  H42  1  0.247620  0.306118  0.426327  1
  H  H43  1  0.747620  0.555912  0.426809  1
  H  H44  1  0.747620  0.896693  0.411620  1
  H  H45  1  0.747620  0.215706  0.441065  1
  H  H46  1  0.247620  0.806046  0.426648  1
  H  H47  1  0.247620  0.146707  0.411305  1
  H  H48  1  0.247620  0.487047  0.397064  1
  H  H49  1  0.747620  0.715393  0.441618  1
  H  H50  1  0.747620  0.034742  0.470726  1
  H  H51  1  0.747620  0.374930  0.456249  1
  H  H52  1  0.247620  0.624806  0.456511  1
  H  H53  1  0.247620  0.944182  0.485654  1
  H  H54  1  0.247620  0.284560  0.470938  1
  H  H55  1  0.747620  0.534277  0.471344  1
  H  H56  1  0.747620  0.875140  0.456136  1
  H  H57  1  0.747620  0.194161  0.485661  1
  H  H58  1  0.247620  0.784444  0.471144  1
  H  H59  1  0.247620  0.125227  0.455876  1
  H  H60  1  0.247620  0.465369  0.441564  1
  H  H61  1  0.747620  0.693777  0.486129  1
  H  H62  1  0.747620  1.013153  0.515272  1
  H  H63  1  0.747620  0.353400  0.500846  1
  H  H64  1  0.247620  0.603218  0.501057  1
  H  H65  1  0.247620  0.922567  0.530166  1
  H  H66  1  0.247620  0.263029  0.515534  1
  H  H67  1  0.747620  0.512733  0.515907  1
  H  H68  1  0.747620  0.853515  0.500640  1
  H  H69  1  0.747620  0.172591  0.530219  1
  H  H70  1  0.247620  0.762819  0.515648  1
  H  H71  1  0.247620  0.103683  0.500440  1
  H  H72  1  0.247620  0.443799  0.486122  1
  H  H73  1  0.747620  0.672184  0.530687  1
  H  H74  1  0.747620  0.991524  0.559789  1
  H  H75  1  0.747620  0.331841  0.545457  1
  H  H76  1  0.247620  0.581720  0.545647  1
  H  H77  1  0.247620  0.901007  0.574648  1
  H  H78  1  0.247620  0.241438  0.560108  1
  H  H79  1  0.747620  0.491252  0.560478  1
  H  H80  1  0.747620  0.831914  0.545135  1
  H  H81  1  0.747620  0.150913  0.574720  1
  H  H82  1  0.247620  0.741266  0.560163  1
  H  H83  1  0.247620  0.082048  0.544975  1
  H  H84  1  0.247620  0.422253  0.530719  1
  H  H85  1  0.747620  0.650687  0.575324  1
  H  H86  1  0.747620  0.969909  0.604307  1
  H  H87  1  0.747620  0.310168  0.590079  1
  H  H88  1  0.247620  0.560389  0.590276  1
  H  H89  1  0.247620  0.879617  0.619102  1
  H  H90  1  0.247620  0.219653  0.604640  1
  H  H91  1  0.747620  0.469755  0.604966  1
  H  H92  1  0.747620  0.810446  0.589636  1
  H  H93  1  0.747620  0.129018  0.619123  1
  H  H94  1  0.247620  0.719932  0.604667  1
  H  H95  1  0.247620  0.060294  0.589502  1
  H  H96  1  0.247620  0.400621  0.575347  1
  H  H97  1  0.747620  0.629315  0.620089  1
  H  H98  1  0.747620  0.948165  0.648808  1
  H  H99  1  0.747620  0.287889  0.634603  1
  H  H100  1  0.247620  0.538989  0.634795  1
  H  H101  1  0.247620  0.858807  0.663373  1
  H  H102  1  0.247620  0.197350  0.649013  1
  H  H103  1  0.747620  0.448331  0.649079  1
  H  H104  1  0.747620  0.789341  0.634164  1
  H  H105  1  0.747620  0.106905  0.663215  1
  H  H106  1  0.247620  0.699202  0.648952  1
  H  H107  1  0.247620  0.038287  0.634046  1
  H  H108  1  0.247620  0.378706  0.620009  1
  H  H109  1  0.747620  0.608528  0.665066  1
  H  H110  1  0.747620  0.927519  0.693915  1
  H  H111  1  0.747620  0.265911  0.679551  1
  H  H112  1  0.247620  0.517810  0.679573  1
  H  H113  1  0.247620  0.836688  0.708060  1
  H  H114  1  0.247620  0.174437  0.693617  1
  H  H115  1  0.747620  0.426384  0.693539  1
  H  H116  1  0.747620  0.768681  0.678744  1
  H  H117  1  0.747620  0.084248  0.707938  1
  H  H118  1  0.247620  0.680263  0.693922  1
  H  H119  1  0.247620  0.016308  0.678716  1
  H  H120  1  0.247620  0.356471  0.664705  1
