# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19845159
_cell_length_b   8.67053258
_cell_length_c   51.46160462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.08720763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H104
_cell_volume   2151.96621431
_cell_formula_units_Z   52
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  0.690112  0.084697  0.246838  1
  H  H2  1  0.709071  0.344167  0.251018  1
  H  H3  1  0.529203  0.606459  0.230551  1
  H  H4  1  0.570333  0.863797  0.235287  1
  H  H5  1  1.139257  0.105046  0.243038  1
  H  H6  1  0.257928  0.325964  0.253410  1
  H  H7  1  0.999262  0.610171  0.228422  1
  H  H8  1  1.112516  0.844570  0.238803  1
  H  H9  1  0.429130  0.030557  0.278157  1
  H  H10  1  0.578569  0.231475  0.288722  1
  H  H11  1  0.276176  0.573403  0.264198  1
  H  H12  1  0.425371  0.774597  0.273691  1
  H  H13  1  1.004760  0.001274  0.281323  1
  H  H14  1  1.008495  0.259243  0.285789  1
  H  H15  1  0.840307  0.546385  0.266733  1
  H  H16  1  0.851898  0.801446  0.270851  1
  H  H17  1  0.314662  0.912421  0.315601  1
  H  H18  1  0.312998  0.171346  0.319747  1
  H  H19  1  1.160911  0.453842  0.299642  1
  H  H20  1  1.159436  0.715020  0.304279  1
  H  H21  1  0.734721  0.943673  0.311688  1
  H  H22  1  0.890971  0.140229  0.323299  1
  H  H23  1  0.584998  0.484031  0.296432  1
  H  H24  1  0.737371  0.684009  0.307939  1
  H  H25  1  1.041417  0.853178  0.345360  1
  H  H26  1  0.201319  0.047881  0.357478  1
  H  H27  1  0.891498  0.396738  0.329273  1
  H  H28  1  1.049046  0.592568  0.341461  1
  H  H29  1  0.624620  0.820787  0.349468  1
  H  H30  1  0.619665  0.080245  0.353471  1
  H  H31  1  0.472361  0.364177  0.332990  1
  H  H32  1  0.466416  0.624828  0.337609  1
  H  H33  1  0.933941  0.728830  0.383130  1
  H  H34  1  0.927241  -0.011125  0.387209  1
  H  H35  1  0.781112  0.273294  0.366424  1
  H  H36  1  0.774420  0.533783  0.370907  1
  H  H37  1  0.349756  0.761724  0.378979  1
  H  H38  1  0.510685  0.956003  0.391319  1
  H  H39  1  1.198035  0.306238  0.362406  1
  H  H40  1  0.358087  0.500848  0.374975  1
  H  H41  1  0.658282  0.670212  0.412529  1
  H  H42  1  0.819571  0.864313  0.425015  1
  H  H43  1  0.505353  0.215306  0.395806  1
  H  H44  1  0.666567  0.409390  0.408446  1
  H  H45  1  0.242681  0.637146  0.416709  1
  H  H46  1  0.235550  0.897394  0.420865  1
  H  H47  1  1.089299  0.182190  0.399953  1
  H  H48  1  1.082323  0.442498  0.404300  1
  H  H49  1  0.551078  0.545690  0.450229  1
  H  H50  1  0.543928  0.805969  0.454471  1
  H  H51  1  0.397592  0.090916  0.433520  1
  H  H52  1  0.390442  0.351195  0.437762  1
  H  H53  1  0.966654  0.578830  0.446049  1
  H  H54  1  1.128123  0.772830  0.458634  1
  H  H55  1  0.813396  0.124055  0.429357  1
  H  H56  1  0.974865  0.318055  0.441942  1
  H  H57  1  0.274953  0.487494  0.479546  1
  H  H58  1  0.436166  0.681579  0.492185  1
  H  H59  1  1.121949  0.032571  0.462976  1
  H  H60  1  0.283238  0.226672  0.475462  1
  H  H61  1  0.859197  0.454387  0.483692  1
  H  H62  1  0.852221  0.714694  0.488039  1
  H  H63  1  0.705970  -0.000509  0.467127  1
  H  H64  1  0.698838  0.259738  0.471282  1
  H  H65  1  1.167100  0.363102  0.517085  1
  H  H66  1  1.160408  0.623590  0.521567  1
  H  H67  1  1.014279  0.908009  0.500782  1
  H  H68  1  1.007579  0.168055  0.504861  1
  H  H69  1  0.583432  0.396037  0.513016  1
  H  H70  1  0.743485  0.590647  0.525585  1
  H  H71  1  0.430835  0.940882  0.496673  1
  H  H72  1  0.591764  0.135161  0.509013  1
  H  H73  1  0.892473  0.304316  0.546531  1
  H  H74  1  1.050021  0.500147  0.558718  1
  H  H75  1  0.740201  0.849003  0.530513  1
  H  H76  1  0.900103  0.043707  0.542631  1
  H  H77  1  0.475104  0.272057  0.550383  1
  H  H78  1  0.469158  0.532708  0.555002  1
  H  H79  1  0.321855  0.816640  0.534520  1
  H  H80  1  0.316900  0.076097  0.538523  1
  H  H81  1  0.782084  0.181864  0.583713  1
  H  H82  1  0.780608  0.443043  0.588349  1
  H  H83  1  0.628522  0.725539  0.568244  1
  H  H84  1  0.626857  -0.015537  0.572391  1
  H  H85  1  0.204149  0.212875  0.580053  1
  H  H86  1  0.356522  0.412854  0.591560  1
  H  H87  1  1.050549  0.756656  0.564693  1
  H  H88  1  0.206799  0.953212  0.576304  1
  H  H89  1  0.516149  0.122288  0.614301  1
  H  H90  1  0.665344  0.323482  0.623794  1
  H  H91  1  0.362951  0.665410  0.599269  1
  H  H92  1  0.512390  0.866328  0.609835  1
  H  H93  1  1.089622  0.095439  0.617140  1
  H  H94  1  1.101213  0.350499  0.621258  1
  H  H95  1  0.933025  0.637642  0.602203  1
  H  H96  1  0.936760  0.895611  0.606668  1
  H  H97  1  0.371187  0.033088  0.652705  1
  H  H98  1  0.412317  0.290425  0.657441  1
  H  H99  1  0.232449  0.552718  0.636974  1
  H  H100  1  0.251408  0.812188  0.641153  1
  H  H101  1  0.829004  0.052315  0.649189  1
  H  H102  1  0.942257  0.286713  0.659570  1
  H  H103  1  0.683592  0.570921  0.634581  1
  H  H104  1  0.802263  0.791839  0.644954  1
