# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12459385
_cell_length_b   4.28569790
_cell_length_c   47.01932379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.52802563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   1836.99151204
_cell_formula_units_Z   54
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  0.406246  0.123499  0.295717  1
  H  H2  1  0.072913  0.123499  0.295717  1
  H  H3  1  0.120588  0.921614  0.308856  1
  H  H4  1  0.739579  0.123499  0.295717  1
  H  H5  1  0.787255  0.921614  0.308856  1
  H  H6  1  0.699285  0.294127  0.284613  1
  H  H7  1  0.453921  0.921614  0.308856  1
  H  H8  1  0.365952  0.294127  0.284613  1
  H  H9  1  0.032619  0.294127  0.284613  1
  H  H10  1  0.542987  0.544461  0.333401  1
  H  H11  1  0.209653  0.544461  0.333401  1
  H  H12  1  0.254216  0.355758  0.345681  1
  H  H13  1  0.876320  0.544461  0.333401  1
  H  H14  1  0.920882  0.355758  0.345681  1
  H  H15  1  0.830972  0.736489  0.320904  1
  H  H16  1  0.587549  0.355758  0.345681  1
  H  H17  1  0.497639  0.736489  0.320904  1
  H  H18  1  0.164306  0.736489  0.320904  1
  H  H19  1  0.677220  0.976037  0.370393  1
  H  H20  1  0.343887  0.976037  0.370393  1
  H  H21  1  0.388717  0.786204  0.382747  1
  H  H22  1  0.010554  0.976037  0.370393  1
  H  H23  1  0.055383  0.786204  0.382747  1
  H  H24  1  0.965802  0.165543  0.358060  1
  H  H25  1  0.722050  0.786204  0.382747  1
  H  H26  1  0.632468  0.165543  0.358060  1
  H  H27  1  0.299135  0.165543  0.358060  1
  H  H28  1  0.811653  0.406770  0.407441  1
  H  H29  1  0.478320  0.406770  0.407441  1
  H  H30  1  0.523122  0.217051  0.419787  1
  H  H31  1  0.144987  0.406770  0.407441  1
  H  H32  1  0.189789  0.217051  0.419787  1
  H  H33  1  0.100177  0.596522  0.395092  1
  H  H34  1  0.856456  0.217051  0.419787  1
  H  H35  1  0.766843  0.596522  0.395092  1
  H  H36  1  0.433510  0.596522  0.395092  1
  H  H37  1  0.946066  0.837590  0.444482  1
  H  H38  1  0.612733  0.837590  0.444482  1
  H  H39  1  0.657538  0.647859  0.456830  1
  H  H40  1  0.279399  0.837590  0.444482  1
  H  H41  1  0.324205  0.647859  0.456830  1
  H  H42  1  0.234595  0.027317  0.432135  1
  H  H43  1  0.990871  0.647859  0.456830  1
  H  H44  1  0.901262  0.027317  0.432135  1
  H  H45  1  0.567928  0.027317  0.432135  1
  H  H46  1  0.080481  0.268400  0.481525  1
  H  H47  1  0.747147  0.268400  0.481525  1
  H  H48  1  0.791952  0.078671  0.493872  1
  H  H49  1  0.413814  0.268400  0.481525  1
  H  H50  1  0.458619  0.078671  0.493872  1
  H  H51  1  0.369009  0.458130  0.469177  1
  H  H52  1  0.125286  0.078671  0.493872  1
  H  H53  1  0.035676  0.458130  0.469177  1
  H  H54  1  0.702343  0.458130  0.469177  1
  H  H55  1  0.214895  0.699212  0.518567  1
  H  H56  1  0.881562  0.699212  0.518567  1
  H  H57  1  0.926367  0.509482  0.530914  1
  H  H58  1  0.548229  0.699212  0.518567  1
  H  H59  1  0.593033  0.509482  0.530914  1
  H  H60  1  0.503424  0.888942  0.506220  1
  H  H61  1  0.259700  0.509482  0.530914  1
  H  H62  1  0.170090  0.888942  0.506220  1
  H  H63  1  0.836757  0.888942  0.506220  1
  H  H64  1  0.349310  0.130023  0.555609  1
  H  H65  1  0.015977  0.130023  0.555609  1
  H  H66  1  0.060781  0.940296  0.567957  1
  H  H67  1  0.682643  0.130023  0.555609  1
  H  H68  1  0.727448  0.940296  0.567957  1
  H  H69  1  0.637838  0.319753  0.543262  1
  H  H70  1  0.394114  0.940296  0.567957  1
  H  H71  1  0.304505  0.319753  0.543262  1
  H  H72  1  0.971172  0.319753  0.543262  1
  H  H73  1  0.483723  0.560842  0.592651  1
  H  H74  1  0.150389  0.560842  0.592651  1
  H  H75  1  0.195199  0.371090  0.605000  1
  H  H76  1  0.817056  0.560842  0.592651  1
  H  H77  1  0.861866  0.371090  0.605000  1
  H  H78  1  0.772254  0.750561  0.580304  1
  H  H79  1  0.528533  0.371090  0.605000  1
  H  H80  1  0.438920  0.750561  0.580304  1
  H  H81  1  0.105587  0.750561  0.580304  1
  H  H82  1  0.618156  0.991576  0.629698  1
  H  H83  1  0.284822  0.991576  0.629698  1
  H  H84  1  0.329574  0.802069  0.642031  1
  H  H85  1  0.951489  0.991576  0.629698  1
  H  H86  1  0.996241  0.802069  0.642031  1
  H  H87  1  0.906660  0.181409  0.617344  1
  H  H88  1  0.662908  0.802069  0.642031  1
  H  H89  1  0.573326  0.181409  0.617344  1
  H  H90  1  0.239993  0.181409  0.617344  1
  H  H91  1  0.752389  0.423152  0.666691  1
  H  H92  1  0.419056  0.423152  0.666691  1
  H  H93  1  0.464404  0.231124  0.679188  1
  H  H94  1  0.085723  0.423152  0.666691  1
  H  H95  1  0.131071  0.231124  0.679188  1
  H  H96  1  0.041160  0.611855  0.654410  1
  H  H97  1  0.797737  0.231124  0.679188  1
  H  H98  1  0.707827  0.611855  0.654410  1
  H  H99  1  0.374494  0.611855  0.654410  1
  H  H100  1  0.889130  0.844114  0.704374  1
  H  H101  1  0.555797  0.844114  0.704374  1
  H  H102  1  0.596091  0.673485  0.715479  1
  H  H103  1  0.222463  0.844114  0.704374  1
  H  H104  1  0.262757  0.673485  0.715479  1
  H  H105  1  0.174788  0.045999  0.691236  1
  H  H106  1  0.929424  0.673485  0.715479  1
  H  H107  1  0.841455  0.045999  0.691236  1
  H  H108  1  0.508121  0.045999  0.691236  1
