# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87117423
_cell_length_b   9.14687783
_cell_length_c   49.66512043
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.20360406
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   4787.59325017
_cell_formula_units_Z   96
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  0.374473  0.725541  0.308657  1
  H  H2  1  0.796676  0.848667  0.270196  1
  H  H3  1  0.874473  0.225541  0.308657  1
  H  H4  1  0.296676  0.348667  0.270196  1
  H  H5  1  0.424537  0.468056  0.333407  1
  H  H6  1  0.846738  0.591189  0.294946  1
  H  H7  1  0.924537  0.968056  0.333407  1
  H  H8  1  0.346738  0.091189  0.294946  1
  H  H9  1  0.320082  0.061628  0.281768  1
  H  H10  1  0.897881  0.938495  0.320229  1
  H  H11  1  0.820082  0.561628  0.281768  1
  H  H12  1  0.397881  0.438495  0.320229  1
  H  H13  1  0.370145  0.804142  0.306518  1
  H  H14  1  0.947944  0.681010  0.344979  1
  H  H15  1  0.870145  0.304142  0.306518  1
  H  H16  1  0.447944  0.181010  0.344979  1
  H  H17  1  0.663373  0.663975  0.327888  1
  H  H18  1  0.085574  0.787108  0.289427  1
  H  H19  1  0.163373  0.163975  0.327888  1
  H  H20  1  0.585574  0.287108  0.289427  1
  H  H21  1  0.557842  0.652758  0.275716  1
  H  H22  1  0.135638  0.529623  0.314177  1
  H  H23  1  0.057842  0.152758  0.275716  1
  H  H24  1  0.635638  0.029623  0.314177  1
  H  H25  1  0.608981  0.000061  0.300998  1
  H  H26  1  0.186780  0.876928  0.339460  1
  H  H27  1  0.108981  0.500061  0.300998  1
  H  H28  1  0.686780  0.376928  0.339460  1
  H  H29  1  0.659045  0.742576  0.325748  1
  H  H30  1  0.081246  0.865709  0.287287  1
  H  H31  1  0.159045  0.242576  0.325748  1
  H  H32  1  0.581246  0.365709  0.287287  1
  H  H33  1  0.530071  0.479276  0.385581  1
  H  H34  1  0.952272  0.602409  0.347119  1
  H  H35  1  0.030071  0.979276  0.385581  1
  H  H36  1  0.452272  0.102409  0.347119  1
  H  H37  1  0.580134  0.221791  0.410331  1
  H  H38  1  0.002336  0.344924  0.371869  1
  H  H39  1  0.080134  0.721791  0.410331  1
  H  H40  1  0.502336  0.844924  0.371869  1
  H  H41  1  0.475679  0.815362  0.358691  1
  H  H42  1  0.053478  0.692229  0.397152  1
  H  H43  1  0.975679  0.315362  0.358691  1
  H  H44  1  0.553478  0.192229  0.397152  1
  H  H45  1  0.525743  0.557877  0.383441  1
  H  H46  1  0.103541  0.434744  0.421902  1
  H  H47  1  0.025743  0.057877  0.383441  1
  H  H48  1  0.603541  0.934744  0.421902  1
  H  H49  1  0.818970  0.417709  0.404811  1
  H  H50  1  0.241171  0.540842  0.366350  1
  H  H51  1  0.318970  0.917709  0.404811  1
  H  H52  1  0.741171  0.040842  0.366350  1
  H  H53  1  0.713436  0.406490  0.352638  1
  H  H54  1  0.291235  0.283357  0.391100  1
  H  H55  1  0.213436  0.906490  0.352638  1
  H  H56  1  0.791235  0.783357  0.391100  1
  H  H57  1  0.764579  0.753795  0.377922  1
  H  H58  1  0.342377  0.630663  0.416383  1
  H  H59  1  0.264579  0.253795  0.377922  1
  H  H60  1  0.842377  0.130663  0.416383  1
  H  H61  1  0.814642  0.496310  0.402672  1
  H  H62  1  0.236843  0.619443  0.364210  1
  H  H63  1  0.314642  0.996310  0.402672  1
  H  H64  1  0.736843  0.119443  0.364210  1
  H  H65  1  0.685668  0.233010  0.462504  1
  H  H66  1  0.107869  0.356143  0.424042  1
  H  H67  1  0.185668  0.733010  0.462504  1
  H  H68  1  0.607869  0.856143  0.424042  1
  H  H69  1  0.735731  0.975525  0.487254  1
  H  H70  1  0.157933  0.098658  0.448792  1
  H  H71  1  0.235731  0.475525  0.487254  1
  H  H72  1  0.657933  0.598658  0.448792  1
  H  H73  1  0.631276  0.569096  0.435614  1
  H  H74  1  0.209075  0.445963  0.474075  1
  H  H75  1  0.131276  0.069096  0.435614  1
  H  H76  1  0.709075  0.945963  0.474075  1
  H  H77  1  0.681340  0.311611  0.460364  1
  H  H78  1  0.259138  0.188478  0.498826  1
  H  H79  1  0.181340  0.811611  0.460364  1
  H  H80  1  0.759138  0.688478  0.498826  1
  H  H81  1  0.974567  0.171444  0.481734  1
  H  H82  1  0.396768  0.294577  0.443273  1
  H  H83  1  0.474567  0.671444  0.481734  1
  H  H84  1  0.896768  0.794577  0.443273  1
  H  H85  1  0.869033  0.160224  0.429561  1
  H  H86  1  0.446832  0.037091  0.468023  1
  H  H87  1  0.369033  0.660224  0.429561  1
  H  H88  1  0.946832  0.537091  0.468023  1
  H  H89  1  0.920176  0.507530  0.454845  1
  H  H90  1  0.497974  0.384397  0.493306  1
  H  H91  1  0.420176  0.007530  0.454845  1
  H  H92  1  0.997974  0.884397  0.493306  1
  H  H93  1  0.970239  0.250045  0.479595  1
  H  H94  1  0.392441  0.373178  0.441133  1
  H  H95  1  0.470239  0.750045  0.479595  1
  H  H96  1  0.892441  0.873178  0.441133  1
  H  H97  1  0.841265  0.986745  0.539427  1
  H  H98  1  0.263466  0.109877  0.500965  1
  H  H99  1  0.341265  0.486745  0.539427  1
  H  H100  1  0.763466  0.609877  0.500965  1
  H  H101  1  0.891328  0.729259  0.564177  1
  H  H102  1  0.313530  0.852392  0.525715  1
  H  H103  1  0.391328  0.229259  0.564177  1
  H  H104  1  0.813530  0.352392  0.525715  1
  H  H105  1  0.786873  0.322831  0.512537  1
  H  H106  1  0.364672  0.199698  0.550999  1
  H  H107  1  0.286873  0.822831  0.512537  1
  H  H108  1  0.864672  0.699698  0.550999  1
  H  H109  1  0.836937  0.065346  0.537287  1
  H  H110  1  0.414735  0.942213  0.575749  1
  H  H111  1  0.336937  0.565346  0.537287  1
  H  H112  1  0.914735  0.442213  0.575749  1
  H  H113  1  0.130164  0.925178  0.558657  1
  H  H114  1  0.552365  0.048311  0.520196  1
  H  H115  1  0.630164  0.425178  0.558657  1
  H  H116  1  0.052365  0.548311  0.520196  1
  H  H117  1  0.024630  0.913959  0.506484  1
  H  H118  1  0.602429  0.790826  0.544946  1
  H  H119  1  0.524630  0.413959  0.506484  1
  H  H120  1  0.102429  0.290826  0.544946  1
  H  H121  1  0.075773  0.261264  0.531768  1
  H  H122  1  0.653571  0.138131  0.570229  1
  H  H123  1  0.575773  0.761264  0.531768  1
  H  H124  1  0.153571  0.638131  0.570229  1
  H  H125  1  0.125836  0.003779  0.556518  1
  H  H126  1  0.548038  0.126912  0.518056  1
  H  H127  1  0.625836  0.503779  0.556518  1
  H  H128  1  0.048038  0.626912  0.518056  1
  H  H129  1  0.996862  0.740479  0.616350  1
  H  H130  1  0.419063  0.863612  0.577888  1
  H  H131  1  0.496862  0.240479  0.616350  1
  H  H132  1  0.919063  0.363612  0.577888  1
  H  H133  1  0.046925  0.482994  0.641100  1
  H  H134  1  0.469127  0.606127  0.602638  1
  H  H135  1  0.546925  0.982994  0.641100  1
  H  H136  1  0.969127  0.106127  0.602638  1
  H  H137  1  0.942471  0.076565  0.589460  1
  H  H138  1  0.520269  0.953432  0.627922  1
  H  H139  1  0.442471  0.576565  0.589460  1
  H  H140  1  0.020269  0.453432  0.627922  1
  H  H141  1  0.992534  0.819080  0.614210  1
  H  H142  1  0.570333  0.695947  0.652672  1
  H  H143  1  0.492534  0.319080  0.614210  1
  H  H144  1  0.070333  0.195947  0.652672  1
  H  H145  1  0.285761  0.678913  0.635581  1
  H  H146  1  0.707963  0.802045  0.597119  1
  H  H147  1  0.785761  0.178913  0.635581  1
  H  H148  1  0.207963  0.302045  0.597119  1
  H  H149  1  0.180227  0.667693  0.583407  1
  H  H150  1  0.758026  0.544560  0.621869  1
  H  H151  1  0.680227  0.167693  0.583407  1
  H  H152  1  0.258026  0.044560  0.621869  1
  H  H153  1  0.231370  0.014999  0.608691  1
  H  H154  1  0.809168  0.891866  0.647152  1
  H  H155  1  0.731370  0.514999  0.608691  1
  H  H156  1  0.309168  0.391866  0.647152  1
  H  H157  1  0.281433  0.757514  0.633441  1
  H  H158  1  0.703635  0.880646  0.594979  1
  H  H159  1  0.781433  0.257514  0.633441  1
  H  H160  1  0.203635  0.380646  0.594979  1
  H  H161  1  0.152459  0.494214  0.693273  1
  H  H162  1  0.574660  0.617346  0.654811  1
  H  H163  1  0.652459  0.994214  0.693273  1
  H  H164  1  0.074660  0.117346  0.654811  1
  H  H165  1  0.202523  0.236728  0.718023  1
  H  H166  1  0.624724  0.359861  0.679561  1
  H  H167  1  0.702523  0.736728  0.718023  1
  H  H168  1  0.124724  0.859861  0.679561  1
  H  H169  1  0.098068  0.830300  0.666383  1
  H  H170  1  0.675866  0.707167  0.704845  1
  H  H171  1  0.598068  0.330300  0.666383  1
  H  H172  1  0.175866  0.207167  0.704845  1
  H  H173  1  0.148131  0.572814  0.691133  1
  H  H174  1  0.725929  0.449689  0.729594  1
  H  H175  1  0.648131  0.072814  0.691133  1
  H  H176  1  0.225929  0.949689  0.729594  1
  H  H177  1  0.441359  0.432647  0.712504  1
  H  H178  1  0.863560  0.555780  0.674042  1
  H  H179  1  0.941359  0.932647  0.712504  1
  H  H180  1  0.363560  0.055780  0.674042  1
  H  H181  1  0.335825  0.421427  0.660331  1
  H  H182  1  0.913623  0.298295  0.698792  1
  H  H183  1  0.835825  0.921427  0.660331  1
  H  H184  1  0.413623  0.798295  0.698792  1
  H  H185  1  0.386967  0.768733  0.685614  1
  H  H186  1  0.964763  0.645598  0.724074  1
  H  H187  1  0.886967  0.268733  0.685614  1
  H  H188  1  0.464763  0.145598  0.724074  1
  H  H189  1  0.437030  0.511248  0.710364  1
  H  H190  1  0.859232  0.634381  0.671902  1
  H  H191  1  0.937030  0.011248  0.710364  1
  H  H192  1  0.359232  0.134381  0.671902  1
