# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67559218
_cell_length_b   7.02377215
_cell_length_c   41.56533321
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.77804841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2984.01334761
_cell_formula_units_Z   72
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  0.501277  1.041708  0.345480  1
  H  H2  1  0.501277  0.708375  0.345480  1
  H  H3  1  -0.076709  1.087253  0.333423  1
  H  H4  1  0.127717  1.001891  0.333184  1
  H  H5  1  0.127717  0.668557  0.333184  1
  H  H6  1  0.127717  0.335224  0.333184  1
  H  H7  1  0.501277  0.375042  0.345480  1
  H  H8  1  -0.076709  0.753920  0.333423  1
  H  H9  1  -0.076709  0.420587  0.333423  1
  H  H10  1  0.284990  0.912373  0.362740  1
  H  H11  1  0.284990  0.579040  0.362740  1
  H  H12  1  0.704554  0.955196  0.347552  1
  H  H13  1  0.859038  0.875906  0.380457  1
  H  H14  1  0.859038  0.542573  0.380457  1
  H  H15  1  0.859038  0.209239  0.380457  1
  H  H16  1  0.284990  0.245707  0.362740  1
  H  H17  1  0.704554  0.621862  0.347552  1
  H  H18  1  0.704554  0.288529  0.347552  1
  H  H19  1  0.059818  0.790405  0.379204  1
  H  H20  1  0.059818  0.457072  0.379204  1
  H  H21  1  0.443642  0.832322  0.392177  1
  H  H22  1  0.639212  0.748379  0.394143  1
  H  H23  1  0.639212  0.415046  0.394143  1
  H  H24  1  0.639212  1.081713  0.394143  1
  H  H25  1  0.059818  1.123738  0.379204  1
  H  H26  1  0.443642  0.498989  0.392177  1
  H  H27  1  0.443642  0.165655  0.392177  1
  H  H28  1  0.792267  0.667062  0.426700  1
  H  H29  1  0.792267  0.333729  0.426700  1
  H  H30  1  0.216301  0.705467  0.408698  1
  H  H31  1  0.377647  0.622128  0.435802  1
  H  H32  1  0.377647  0.288795  0.435802  1
  H  H33  1  0.377647  0.955462  0.435802  1
  H  H34  1  0.792267  1.000395  0.426700  1
  H  H35  1  0.216301  0.372134  0.408698  1
  H  H36  1  0.216301  1.038800  0.408698  1
  H  H37  1  0.572717  0.539364  0.440989  1
  H  H38  1  0.572717  0.206030  0.440989  1
  H  H39  1  -0.006016  0.581415  0.424949  1
  H  H40  1  0.149335  0.497558  0.454829  1
  H  H41  1  0.149335  0.164225  0.454829  1
  H  H42  1  0.149335  0.830892  0.454829  1
  H  H43  1  0.572717  0.872697  0.440989  1
  H  H44  1  -0.006016  0.248081  0.424949  1
  H  H45  1  -0.006016  0.914748  0.424949  1
  H  H46  1  0.316351  0.414455  0.478957  1
  H  H47  1  0.316351  1.081122  0.478957  1
  H  H48  1  0.726783  0.459891  0.473542  1
  H  H49  1  -0.070582  0.374238  0.471333  1
  H  H50  1  -0.070582  1.040904  0.471333  1
  H  H51  1  -0.070582  0.707571  0.471333  1
  H  H52  1  0.316351  0.747789  0.478957  1
  H  H53  1  0.726783  1.126558  0.473542  1
  H  H54  1  0.726783  0.793224  0.473542  1
  H  H55  1  0.085895  0.292630  0.502022  1
  H  H56  1  0.085895  0.959297  0.502022  1
  H  H57  1  0.507083  0.333574  0.488256  1
  H  H58  1  0.663370  0.256257  0.520557  1
  H  H59  1  0.663370  0.922924  0.520557  1
  H  H60  1  0.663370  0.589591  0.520557  1
  H  H61  1  0.085895  0.625964  0.502022  1
  H  H62  1  0.507083  1.000241  0.488256  1
  H  H63  1  0.507083  0.666908  0.488256  1
  H  H64  1  0.865742  0.169628  0.518032  1
  H  H65  1  0.865742  0.836294  0.518032  1
  H  H66  1  0.262222  0.212366  0.521775  1
  H  H67  1  0.445374  1.132166  0.536181  1
  H  H68  1  0.445374  0.798833  0.536181  1
  H  H69  1  0.445374  0.465500  0.536181  1
  H  H70  1  0.865742  0.502961  0.518032  1
  H  H71  1  0.262222  0.879033  0.521775  1
  H  H72  1  0.262222  0.545699  0.521775  1
  H  H73  1  0.600347  1.052092  0.567715  1
  H  H74  1  0.600347  0.718758  0.567715  1
  H  H75  1  0.020716  1.089553  0.549566  1
  H  H76  1  0.203868  1.009353  0.563972  1
  H  H77  1  0.203868  0.676020  0.563972  1
  H  H78  1  0.203868  0.342686  0.563972  1
  H  H79  1  0.600347  0.385425  0.567715  1
  H  H80  1  0.020716  0.756219  0.549566  1
  H  H81  1  0.020716  0.422886  0.549566  1
  H  H82  1  0.380194  0.929089  0.583725  1
  H  H83  1  0.380194  0.595756  0.583725  1
  H  H84  1  0.802720  0.965462  0.565190  1
  H  H85  1  -0.040994  0.888145  0.597491  1
  H  H86  1  -0.040994  0.554812  0.597491  1
  H  H87  1  -0.040994  0.221478  0.597491  1
  H  H88  1  0.380194  0.262422  0.583725  1
  H  H89  1  0.802720  0.632129  0.565190  1
  H  H90  1  0.802720  0.298795  0.565190  1
  H  H91  1  0.149739  0.807264  0.606790  1
  H  H92  1  0.149739  0.473931  0.606790  1
  H  H93  1  0.536671  0.847482  0.614414  1
  H  H94  1  0.739306  0.761828  0.612205  1
  H  H95  1  0.739306  0.428495  0.612205  1
  H  H96  1  0.739306  1.095162  0.612205  1
  H  H97  1  0.149739  1.140597  0.606790  1
  H  H98  1  0.536671  0.514148  0.614414  1
  H  H99  1  0.536671  0.180815  0.614414  1
  H  H100  1  -0.106627  0.682356  0.644758  1
  H  H101  1  -0.106627  0.349022  0.644758  1
  H  H102  1  0.316755  0.724161  0.630918  1
  H  H103  1  0.472105  0.640304  0.660798  1
  H  H104  1  0.472105  0.306971  0.660798  1
  H  H105  1  0.472105  0.973638  0.660798  1
  H  H106  1  -0.106627  1.015689  0.644758  1
  H  H107  1  0.316755  0.390827  0.630918  1
  H  H108  1  0.316755  1.057494  0.630918  1
  H  H109  1  0.673823  0.554657  0.659047  1
  H  H110  1  0.673823  0.221324  0.659047  1
  H  H111  1  0.088442  0.599591  0.649945  1
  H  H112  1  0.249789  0.516252  0.677049  1
  H  H113  1  0.249789  0.182919  0.677049  1
  H  H114  1  0.249789  0.849586  0.677049  1
  H  H115  1  0.673823  0.887991  0.659047  1
  H  H116  1  0.088442  0.266258  0.649945  1
  H  H117  1  0.088442  0.932924  0.649945  1
  H  H118  1  0.406271  0.431314  0.706543  1
  H  H119  1  0.406271  1.097981  0.706543  1
  H  H120  1  0.826878  0.473340  0.691604  1
  H  H121  1  0.022447  0.389397  0.693570  1
  H  H122  1  0.022447  1.056064  0.693570  1
  H  H123  1  0.022447  0.722730  0.693570  1
  H  H124  1  0.406271  0.764648  0.706543  1
  H  H125  1  0.826878  1.140007  0.691604  1
  H  H126  1  0.826878  0.806673  0.691604  1
  H  H127  1  0.181100  0.309346  0.723007  1
  H  H128  1  0.181100  0.976013  0.723007  1
  H  H129  1  0.607051  0.345813  0.705290  1
  H  H130  1  0.761535  0.266524  0.738195  1
  H  H131  1  0.761535  0.933190  0.738195  1
  H  H132  1  0.761535  0.599857  0.738195  1
  H  H133  1  0.181100  0.642679  0.723007  1
  H  H134  1  0.607051  1.012480  0.705290  1
  H  H135  1  0.607051  0.679146  0.705290  1
  H  H136  1  -0.035187  0.180011  0.740268  1
  H  H137  1  -0.035187  0.846678  0.740268  1
  H  H138  1  0.338373  0.219828  0.752563  1
  H  H139  1  0.542798  1.134466  0.752324  1
  H  H140  1  0.542798  0.801133  0.752324  1
  H  H141  1  0.542798  0.467799  0.752324  1
  H  H142  1  -0.035187  0.513344  0.740268  1
  H  H143  1  0.338373  0.886495  0.752563  1
  H  H144  1  0.338373  0.553162  0.752563  1
