# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.26706307
_cell_length_b   17.27707096
_cell_length_c   47.83210151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.91119667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   13565.2029225
_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  0.172999  0.401554  0.300926  1
  H  H2  1  0.839666  0.401554  0.300926  1
  H  H3  1  0.770900  0.930689  0.282407  1
  H  H4  1  0.506333  0.401554  0.300926  1
  H  H5  1  0.437567  0.930689  0.282407  1
  H  H6  1  0.104233  0.930689  0.282407  1
  H  H7  1  0.762938  0.136986  0.310185  1
  H  H8  1  0.429604  0.136986  0.310185  1
  H  H9  1  0.360839  0.666122  0.291667  1
  H  H10  1  0.096271  0.136986  0.310185  1
  H  H11  1  0.027505  0.666122  0.291667  1
  H  H12  1  0.694172  0.666122  0.291667  1
  H  H13  1  0.977197  0.343284  0.337963  1
  H  H14  1  0.643864  0.343284  0.337963  1
  H  H15  1  0.575098  0.872419  0.319444  1
  H  H16  1  0.310531  0.343284  0.337963  1
  H  H17  1  0.241765  0.872419  0.319444  1
  H  H18  1  0.908432  0.872419  0.319444  1
  H  H19  1  0.567136  0.078716  0.347222  1
  H  H20  1  0.233803  0.078716  0.347222  1
  H  H21  1  0.165037  0.607851  0.328704  1
  H  H22  1  0.900469  0.078716  0.347222  1
  H  H23  1  0.831703  0.607851  0.328704  1
  H  H24  1  0.498370  0.607851  0.328704  1
  H  H25  1  0.781396  0.285013  0.375000  1
  H  H26  1  0.448062  0.285013  0.375000  1
  H  H27  1  0.379296  0.814149  0.356481  1
  H  H28  1  0.114729  0.285013  0.375000  1
  H  H29  1  0.045963  0.814149  0.356481  1
  H  H30  1  0.712630  0.814149  0.356481  1
  H  H31  1  0.371334  0.020446  0.384259  1
  H  H32  1  0.038001  0.020446  0.384259  1
  H  H33  1  0.969235  0.549581  0.365741  1
  H  H34  1  0.704667  0.020446  0.384259  1
  H  H35  1  0.635902  0.549581  0.365741  1
  H  H36  1  0.302568  0.549581  0.365741  1
  H  H37  1  0.585594  0.226743  0.412037  1
  H  H38  1  0.252260  0.226743  0.412037  1
  H  H39  1  0.183495  0.755878  0.393519  1
  H  H40  1  0.918927  0.226743  0.412037  1
  H  H41  1  0.850161  0.755878  0.393519  1
  H  H42  1  0.516828  0.755878  0.393519  1
  H  H43  1  0.175532  0.962176  0.421296  1
  H  H44  1  0.842199  0.962176  0.421296  1
  H  H45  1  0.773433  0.491311  0.402778  1
  H  H46  1  0.508866  0.962176  0.421296  1
  H  H47  1  0.440100  0.491311  0.402778  1
  H  H48  1  0.106766  0.491311  0.402778  1
  H  H49  1  0.389792  0.168473  0.449074  1
  H  H50  1  0.056459  0.168473  0.449074  1
  H  H51  1  0.987693  0.697608  0.430556  1
  H  H52  1  0.723125  0.168473  0.449074  1
  H  H53  1  0.654360  0.697608  0.430556  1
  H  H54  1  0.321026  0.697608  0.430556  1
  H  H55  1  0.979730  0.903905  0.458333  1
  H  H56  1  0.646397  0.903905  0.458333  1
  H  H57  1  0.577631  0.433040  0.439815  1
  H  H58  1  0.313064  0.903905  0.458333  1
  H  H59  1  0.244298  0.433040  0.439815  1
  H  H60  1  0.910965  0.433040  0.439815  1
  H  H61  1  0.193990  0.110203  0.486111  1
  H  H62  1  0.860657  0.110203  0.486111  1
  H  H63  1  0.791891  0.639338  0.467593  1
  H  H64  1  0.527324  0.110203  0.486111  1
  H  H65  1  0.458558  0.639338  0.467593  1
  H  H66  1  0.125224  0.639338  0.467593  1
  H  H67  1  0.783929  0.845635  0.495370  1
  H  H68  1  0.450595  0.845635  0.495370  1
  H  H69  1  0.381830  0.374770  0.476852  1
  H  H70  1  0.117262  0.845635  0.495370  1
  H  H71  1  0.048496  0.374770  0.476852  1
  H  H72  1  0.715163  0.374770  0.476852  1
  H  H73  1  0.998188  0.051932  0.523148  1
  H  H74  1  0.664855  0.051932  0.523148  1
  H  H75  1  0.596089  0.581067  0.504630  1
  H  H76  1  0.331522  0.051932  0.523148  1
  H  H77  1  0.262756  0.581067  0.504630  1
  H  H78  1  0.929423  0.581067  0.504630  1
  H  H79  1  0.588127  0.787365  0.532407  1
  H  H80  1  0.254793  0.787365  0.532407  1
  H  H81  1  0.186028  0.316500  0.513889  1
  H  H82  1  0.921460  0.787365  0.532407  1
  H  H83  1  0.852694  0.316500  0.513889  1
  H  H84  1  0.519361  0.316500  0.513889  1
  H  H85  1  0.802387  0.993662  0.560185  1
  H  H86  1  0.469053  0.993662  0.560185  1
  H  H87  1  0.400287  0.522797  0.541667  1
  H  H88  1  0.135720  0.993662  0.560185  1
  H  H89  1  0.066954  0.522797  0.541667  1
  H  H90  1  0.733621  0.522797  0.541667  1
  H  H91  1  0.392325  0.729094  0.569444  1
  H  H92  1  0.058992  0.729094  0.569444  1
  H  H93  1  0.990226  0.258230  0.550926  1
  H  H94  1  0.725658  0.729094  0.569444  1
  H  H95  1  0.656893  0.258230  0.550926  1
  H  H96  1  0.323559  0.258230  0.550926  1
  H  H97  1  0.606585  0.935392  0.597222  1
  H  H98  1  0.273251  0.935392  0.597222  1
  H  H99  1  0.204486  0.464527  0.578704  1
  H  H100  1  0.939918  0.935392  0.597222  1
  H  H101  1  0.871152  0.464527  0.578704  1
  H  H102  1  0.537819  0.464527  0.578704  1
  H  H103  1  0.196523  0.670824  0.606481  1
  H  H104  1  0.863190  0.670824  0.606481  1
  H  H105  1  0.794424  0.199959  0.587963  1
  H  H106  1  0.529857  0.670824  0.606481  1
  H  H107  1  0.461091  0.199959  0.587963  1
  H  H108  1  0.127757  0.199959  0.587963  1
  H  H109  1  0.410783  0.877121  0.634259  1
  H  H110  1  0.077450  0.877121  0.634259  1
  H  H111  1  0.008684  0.406257  0.615741  1
  H  H112  1  0.744116  0.877121  0.634259  1
  H  H113  1  0.675351  0.406257  0.615741  1
  H  H114  1  0.342017  0.406257  0.615741  1
  H  H115  1  0.000721  0.612554  0.643519  1
  H  H116  1  0.667388  0.612554  0.643519  1
  H  H117  1  0.598622  0.141689  0.625000  1
  H  H118  1  0.334055  0.612554  0.643519  1
  H  H119  1  0.265289  0.141689  0.625000  1
  H  H120  1  0.931956  0.141689  0.625000  1
  H  H121  1  0.214981  0.818851  0.671296  1
  H  H122  1  0.881648  0.818851  0.671296  1
  H  H123  1  0.812882  0.347986  0.652778  1
  H  H124  1  0.548314  0.818851  0.671296  1
  H  H125  1  0.479549  0.347986  0.652778  1
  H  H126  1  0.146215  0.347986  0.652778  1
  H  H127  1  0.804920  0.554284  0.680556  1
  H  H128  1  0.471586  0.554284  0.680556  1
  H  H129  1  0.402820  0.083419  0.662037  1
  H  H130  1  0.138253  0.554284  0.680556  1
  H  H131  1  0.069487  0.083419  0.662037  1
  H  H132  1  0.736154  0.083419  0.662037  1
  H  H133  1  0.019179  0.760581  0.708333  1
  H  H134  1  0.685846  0.760581  0.708333  1
  H  H135  1  0.617080  0.289716  0.689815  1
  H  H136  1  0.352513  0.760581  0.708333  1
  H  H137  1  0.283747  0.289716  0.689815  1
  H  H138  1  0.950414  0.289716  0.689815  1
  H  H139  1  0.609118  0.496013  0.717593  1
  H  H140  1  0.275784  0.496013  0.717593  1
  H  H141  1  0.207019  0.025148  0.699074  1
  H  H142  1  0.942451  0.496013  0.717593  1
  H  H143  1  0.873685  0.025148  0.699074  1
  H  H144  1  0.540352  0.025148  0.699074  1
