# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.24495876
_cell_length_b   5.99880373
_cell_length_c   44.67997905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.80077427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3783.1760265
_cell_formula_units_Z   90
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  0.606606  0.815834  0.328669  1
  H  H2  1  0.939939  0.815834  0.328669  1
  H  H3  1  0.726446  0.903770  0.350422  1
  H  H4  1  0.454387  0.112315  0.321731  1
  H  H5  1  0.273272  0.815834  0.328669  1
  H  H6  1  0.059779  0.903770  0.350422  1
  H  H7  1  0.787720  0.112315  0.321731  1
  H  H8  1  0.695480  0.299609  0.364142  1
  H  H9  1  0.632680  0.420826  0.315463  1
  H  H10  1  0.393113  0.903770  0.350422  1
  H  H11  1  0.121053  0.112315  0.321731  1
  H  H12  1  0.028814  0.299609  0.364142  1
  H  H13  1  -0.033986  0.420826  0.315463  1
  H  H14  1  0.761952  0.513577  0.334384  1
  H  H15  1  0.362147  0.299609  0.364142  1
  H  H16  1  0.299347  0.420826  0.315463  1
  H  H17  1  0.095285  0.513577  0.334384  1
  H  H18  1  0.428619  0.513577  0.334384  1
  H  H19  1  0.511891  0.992529  0.371694  1
  H  H20  1  0.845224  0.992529  0.371694  1
  H  H21  1  0.632161  0.078314  0.391831  1
  H  H22  1  0.575579  0.203613  0.344262  1
  H  H23  1  0.178557  0.992529  0.371694  1
  H  H24  1  -0.034506  0.078314  0.391831  1
  H  H25  1  0.908912  0.203613  0.344262  1
  H  H26  1  0.599911  0.468885  0.405192  1
  H  H27  1  0.543189  0.604240  0.357640  1
  H  H28  1  0.298827  0.078314  0.391831  1
  H  H29  1  0.242245  0.203613  0.344262  1
  H  H30  1  0.933244  0.468885  0.405192  1
  H  H31  1  0.876522  0.604240  0.357640  1
  H  H32  1  0.663702  0.687525  0.377670  1
  H  H33  1  0.266577  0.468885  0.405192  1
  H  H34  1  0.209856  0.604240  0.357640  1
  H  H35  1  -0.002964  0.687525  0.377670  1
  H  H36  1  0.330369  0.687525  0.377670  1
  H  H37  1  0.417377  0.164954  0.412169  1
  H  H38  1  0.750711  0.164954  0.412169  1
  H  H39  1  0.536593  0.249389  0.432484  1
  H  H40  1  0.480554  0.385156  0.384701  1
  H  H41  1  0.084044  0.164954  0.412169  1
  H  H42  1  0.869926  0.249389  0.432484  1
  H  H43  1  0.813887  0.385156  0.384701  1
  H  H44  1  0.505069  0.639288  0.446269  1
  H  H45  1  0.448566  0.774481  0.398725  1
  H  H46  1  0.203260  0.249389  0.432484  1
  H  H47  1  0.147220  0.385156  0.384701  1
  H  H48  1  0.838402  0.639288  0.446269  1
  H  H49  1  0.781900  0.774481  0.398725  1
  H  H50  1  0.568709  0.857915  0.418955  1
  H  H51  1  0.171736  0.639288  0.446269  1
  H  H52  1  0.115233  0.774481  0.398725  1
  H  H53  1  0.902042  0.857915  0.418955  1
  H  H54  1  0.235375  0.857915  0.418955  1
  H  H55  1  0.322447  0.334938  0.453029  1
  H  H56  1  0.655780  0.334938  0.453029  1
  H  H57  1  0.441766  0.420012  0.473518  1
  H  H58  1  0.385658  0.554490  0.425672  1
  H  H59  1  -0.010886  0.334938  0.453029  1
  H  H60  1  0.775099  0.420012  0.473518  1
  H  H61  1  0.718992  0.554490  0.425672  1
  H  H62  1  0.410214  0.810109  0.487248  1
  H  H63  1  0.354123  0.944765  0.439550  1
  H  H64  1  0.108433  0.420012  0.473518  1
  H  H65  1  0.052325  0.554490  0.425672  1
  H  H66  1  0.743547  0.810109  0.487248  1
  H  H67  1  0.687457  0.944765  0.439550  1
  H  H68  1  0.473516  0.029609  0.459860  1
  H  H69  1  0.076881  0.810109  0.487248  1
  H  H70  1  0.020790  0.944765  0.439550  1
  H  H71  1  0.806849  0.029609  0.459860  1
  H  H72  1  0.140182  0.029609  0.459860  1
  H  H73  1  0.227693  0.505252  0.494062  1
  H  H74  1  0.561026  0.505252  0.494062  1
  H  H75  1  0.346990  0.590408  0.514546  1
  H  H76  1  0.291005  0.724701  0.466759  1
  H  H77  1  0.894360  0.505252  0.494062  1
  H  H78  1  0.680323  0.590408  0.514546  1
  H  H79  1  0.624338  0.724701  0.466759  1
  H  H80  1  0.315304  0.980736  0.528193  1
  H  H81  1  0.259221  0.115301  0.480385  1
  H  H82  1  0.013656  0.590408  0.514546  1
  H  H83  1  -0.042329  0.724701  0.466759  1
  H  H84  1  0.648637  0.980736  0.528193  1
  H  H85  1  0.592555  0.115301  0.480385  1
  H  H86  1  0.378555  0.200367  0.500839  1
  H  H87  1  -0.018030  0.980736  0.528193  1
  H  H88  1  0.925888  0.115301  0.480385  1
  H  H89  1  0.711888  0.200367  0.500839  1
  H  H90  1  0.045222  0.200367  0.500839  1
  H  H91  1  0.132851  0.675755  0.535064  1
  H  H92  1  0.466184  0.675755  0.535064  1
  H  H93  1  0.252185  0.760821  0.555517  1
  H  H94  1  0.196102  0.895386  0.507709  1
  H  H95  1  0.799517  0.675755  0.535064  1
  H  H96  1  0.585518  0.760821  0.555517  1
  H  H97  1  0.529436  0.895386  0.507709  1
  H  H98  1  0.220401  0.151421  0.569143  1
  H  H99  1  0.164416  0.285714  0.521356  1
  H  H100  1  0.918851  0.760821  0.555517  1
  H  H101  1  0.862769  0.895386  0.507709  1
  H  H102  1  0.553735  0.151421  0.569143  1
  H  H103  1  0.497750  0.285714  0.521356  1
  H  H104  1  0.283713  0.370870  0.541840  1
  H  H105  1  0.887068  0.151421  0.569143  1
  H  H106  1  0.831083  0.285714  0.521356  1
  H  H107  1  0.617046  0.370870  0.541840  1
  H  H108  1  -0.049620  0.370870  0.541840  1
  H  H109  1  0.037890  0.846513  0.576042  1
  H  H110  1  0.371223  0.846513  0.576042  1
  H  H111  1  0.157282  0.931357  0.596352  1
  H  H112  1  0.101192  0.066013  0.548654  1
  H  H113  1  0.704557  0.846513  0.576042  1
  H  H114  1  0.490616  0.931357  0.596352  1
  H  H115  1  0.434525  0.066013  0.548654  1
  H  H116  1  0.125748  0.321632  0.610231  1
  H  H117  1  0.069640  0.456110  0.562384  1
  H  H118  1  0.823949  0.931357  0.596352  1
  H  H119  1  0.767859  0.066013  0.548654  1
  H  H120  1  0.459081  0.321632  0.610231  1
  H  H121  1  0.402973  0.456110  0.562384  1
  H  H122  1  0.188959  0.541184  0.582873  1
  H  H123  1  0.792414  0.321632  0.610231  1
  H  H124  1  0.736307  0.456110  0.562384  1
  H  H125  1  0.522292  0.541184  0.582873  1
  H  H126  1  0.855626  0.541184  0.582873  1
  H  H127  1  0.942697  0.018207  0.616947  1
  H  H128  1  0.276031  0.018207  0.616947  1
  H  H129  1  0.062840  0.101641  0.637177  1
  H  H130  1  0.006337  0.236834  0.589633  1
  H  H131  1  0.609364  0.018207  0.616947  1
  H  H132  1  0.396173  0.101641  0.637177  1
  H  H133  1  0.339670  0.236834  0.589633  1
  H  H134  1  0.030852  0.490966  0.651201  1
  H  H135  1  -0.025187  0.626733  0.603418  1
  H  H136  1  0.729506  0.101641  0.637177  1
  H  H137  1  0.673004  0.236834  0.589633  1
  H  H138  1  0.364186  0.490966  0.651201  1
  H  H139  1  0.308146  0.626733  0.603418  1
  H  H140  1  0.094029  0.711168  0.623733  1
  H  H141  1  0.697519  0.490966  0.651201  1
  H  H142  1  0.641480  0.626733  0.603418  1
  H  H143  1  0.427362  0.711168  0.623733  1
  H  H144  1  0.760695  0.711168  0.623733  1
  H  H145  1  0.847703  0.188597  0.658232  1
  H  H146  1  0.181037  0.188597  0.658232  1
  H  H147  1  -0.031783  0.271882  0.678262  1
  H  H148  1  0.911495  0.407237  0.630710  1
  H  H149  1  0.514370  0.188597  0.658232  1
  H  H150  1  0.301550  0.271882  0.678262  1
  H  H151  1  0.244829  0.407237  0.630710  1
  H  H152  1  0.935827  0.672509  0.691640  1
  H  H153  1  0.879245  0.797808  0.644072  1
  H  H154  1  0.634884  0.271882  0.678262  1
  H  H155  1  0.578162  0.407237  0.630710  1
  H  H156  1  0.269160  0.672509  0.691640  1
  H  H157  1  0.212579  0.797808  0.644072  1
  H  H158  1  -0.000485  0.883593  0.664209  1
  H  H159  1  0.602494  0.672509  0.691640  1
  H  H160  1  0.545912  0.797808  0.644072  1
  H  H161  1  0.332849  0.883593  0.664209  1
  H  H162  1  0.666182  0.883593  0.664209  1
  H  H163  1  0.749454  0.362545  0.701519  1
  H  H164  1  0.082787  0.362545  0.701519  1
  H  H165  1  0.878725  0.455296  0.720439  1
  H  H166  1  0.815926  0.576513  0.671760  1
  H  H167  1  0.416121  0.362545  0.701519  1
  H  H168  1  0.212059  0.455296  0.720439  1
  H  H169  1  0.149259  0.576513  0.671760  1
  H  H170  1  0.057019  0.763807  0.714172  1
  H  H171  1  0.784960  0.972352  0.685480  1
  H  H172  1  0.545392  0.455296  0.720439  1
  H  H173  1  0.482592  0.576513  0.671760  1
  H  H174  1  0.390353  0.763807  0.714172  1
  H  H175  1  0.118293  0.972352  0.685480  1
  H  H176  1  0.904800  0.060288  0.707233  1
  H  H177  1  0.723686  0.763807  0.714172  1
  H  H178  1  0.451627  0.972352  0.685480  1
  H  H179  1  0.238134  0.060288  0.707233  1
  H  H180  1  0.571467  0.060288  0.707233  1
