# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.26070851
_cell_length_b   6.00490541
_cell_length_c   44.68689265
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.76767854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   3790.62873837
_cell_formula_units_Z   90
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  0.525700  0.803769  0.364655  1
  H  H2  1  0.859033  0.803769  0.364655  1
  H  H3  1  0.795932  0.924301  0.315852  1
  H  H4  1  0.592219  0.017306  0.334749  1
  H  H5  1  0.192366  0.803769  0.364655  1
  H  H6  1  0.129265  0.924301  0.315852  1
  H  H7  1  0.925552  0.017306  0.334749  1
  H  H8  1  0.770154  0.319375  0.329140  1
  H  H9  1  0.556619  0.407629  0.350998  1
  H  H10  1  0.462598  0.924301  0.315852  1
  H  H11  1  0.258885  0.017306  0.334749  1
  H  H12  1  0.103488  0.319375  0.329140  1
  H  H13  1  0.889952  0.407629  0.350998  1
  H  H14  1  0.617835  0.615576  0.322145  1
  H  H15  1  0.436821  0.319375  0.329140  1
  H  H16  1  0.223285  0.407629  0.350998  1
  H  H17  1  -0.048832  0.615576  0.322145  1
  H  H18  1  0.284502  0.615576  0.322145  1
  H  H19  1  0.430198  0.972964  0.405838  1
  H  H20  1  0.763531  0.972964  0.405838  1
  H  H21  1  0.706693  0.108196  0.358198  1
  H  H22  1  0.493956  0.191593  0.378257  1
  H  H23  1  0.096864  0.972964  0.405838  1
  H  H24  1  0.040026  0.108196  0.358198  1
  H  H25  1  0.827289  0.191593  0.378257  1
  H  H26  1  0.675438  0.496496  0.372292  1
  H  H27  1  0.462391  0.582520  0.392476  1
  H  H28  1  0.373359  0.108196  0.358198  1
  H  H29  1  0.160623  0.191593  0.378257  1
  H  H30  1  0.008772  0.496496  0.372292  1
  H  H31  1  0.795724  0.582520  0.392476  1
  H  H32  1  0.739048  0.707350  0.344816  1
  H  H33  1  0.342105  0.496496  0.372292  1
  H  H34  1  0.129058  0.582520  0.392476  1
  H  H35  1  0.072382  0.707350  0.344816  1
  H  H36  1  0.405715  0.707350  0.344816  1
  H  H37  1  0.335464  0.142880  0.447016  1
  H  H38  1  0.668797  0.142880  0.447016  1
  H  H39  1  0.612155  0.278594  0.399415  1
  H  H40  1  0.399047  0.361799  0.419650  1
  H  H41  1  0.002130  0.142880  0.447016  1
  H  H42  1  0.945488  0.278594  0.399415  1
  H  H43  1  0.732380  0.361799  0.419650  1
  H  H44  1  0.580991  0.669049  0.412830  1
  H  H45  1  0.366906  0.753269  0.433187  1
  H  H46  1  0.278821  0.278594  0.399415  1
  H  H47  1  0.065714  0.361799  0.419650  1
  H  H48  1  0.914324  0.669049  0.412830  1
  H  H49  1  0.700239  0.753269  0.433187  1
  H  H50  1  0.644055  0.889408  0.385303  1
  H  H51  1  0.247658  0.669049  0.412830  1
  H  H52  1  0.033573  0.753269  0.433187  1
  H  H53  1  -0.022612  0.889408  0.385303  1
  H  H54  1  0.310722  0.889408  0.385303  1
  H  H55  1  0.240691  0.313297  0.488051  1
  H  H56  1  0.574024  0.313297  0.488051  1
  H  H57  1  0.517793  0.448575  0.440292  1
  H  H58  1  0.303924  0.533103  0.460604  1
  H  H59  1  0.907358  0.313297  0.488051  1
  H  H60  1  0.851126  0.448575  0.440292  1
  H  H61  1  0.637258  0.533103  0.460604  1
  H  H62  1  0.486153  0.838550  0.453759  1
  H  H63  1  0.272192  0.923355  0.474290  1
  H  H64  1  0.184460  0.448575  0.440292  1
  H  H65  1  -0.029409  0.533103  0.460604  1
  H  H66  1  0.819487  0.838550  0.453759  1
  H  H67  1  0.605526  0.923355  0.474290  1
  H  H68  1  0.549297  0.058439  0.426381  1
  H  H69  1  0.152820  0.838550  0.453759  1
  H  H70  1  0.938859  0.923355  0.474290  1
  H  H71  1  0.882631  0.058439  0.426381  1
  H  H72  1  0.215964  0.058439  0.426381  1
  H  H73  1  0.145868  0.483506  0.529053  1
  H  H74  1  0.479202  0.483506  0.529053  1
  H  H75  1  0.422984  0.618627  0.481169  1
  H  H76  1  0.209049  0.703434  0.501646  1
  H  H77  1  0.812535  0.483506  0.529053  1
  H  H78  1  0.756317  0.618627  0.481169  1
  H  H79  1  0.542383  0.703434  0.501646  1
  H  H80  1  0.391513  1.008370  0.494872  1
  H  H81  1  0.177535  0.093302  0.515388  1
  H  H82  1  0.089650  0.618627  0.481169  1
  H  H83  1  0.875716  0.703434  0.501646  1
  H  H84  1  0.724847  1.008370  0.494872  1
  H  H85  1  0.510868  0.093302  0.515388  1
  H  H86  1  0.454762  0.228114  0.467531  1
  H  H87  1  0.058180  1.008370  0.494872  1
  H  H88  1  0.844201  0.093302  0.515388  1
  H  H89  1  0.788096  0.228114  0.467531  1
  H  H90  1  0.121429  0.228114  0.467531  1
  H  H91  1  0.051060  0.653761  0.570060  1
  H  H92  1  0.384394  0.653761  0.570060  1
  H  H93  1  0.328288  0.788572  0.522203  1
  H  H94  1  0.114310  0.873504  0.542719  1
  H  H95  1  0.717727  0.653761  0.570060  1
  H  H96  1  0.661622  0.788572  0.522203  1
  H  H97  1  0.447643  0.873504  0.542719  1
  H  H98  1  0.296774  0.178441  0.535945  1
  H  H99  1  0.082839  0.263247  0.556423  1
  H  H100  1  -0.005045  0.788572  0.522203  1
  H  H101  1  0.780976  0.873504  0.542719  1
  H  H102  1  0.630107  0.178441  0.535945  1
  H  H103  1  0.416172  0.263247  0.556423  1
  H  H104  1  0.359954  0.398369  0.508539  1
  H  H105  1  -0.036560  0.178441  0.535945  1
  H  H106  1  0.749506  0.263247  0.556423  1
  H  H107  1  0.693288  0.398369  0.508539  1
  H  H108  1  0.026621  0.398369  0.508539  1
  H  H109  1  -0.043474  0.823436  0.611210  1
  H  H110  1  0.289859  0.823436  0.611210  1
  H  H111  1  0.233631  0.958519  0.563301  1
  H  H112  1  0.019669  0.043325  0.583833  1
  H  H113  1  0.623192  0.823436  0.611210  1
  H  H114  1  0.566964  0.958519  0.563301  1
  H  H115  1  0.353003  0.043325  0.583833  1
  H  H116  1  0.201899  0.348772  0.576988  1
  H  H117  1  -0.011970  0.433300  0.597299  1
  H  H118  1  0.900297  0.958519  0.563301  1
  H  H119  1  0.686336  0.043325  0.583833  1
  H  H120  1  0.535232  0.348772  0.576988  1
  H  H121  1  0.321363  0.433300  0.597299  1
  H  H122  1  0.265132  0.568577  0.549540  1
  H  H123  1  0.868565  0.348772  0.576988  1
  H  H124  1  0.654697  0.433300  0.597299  1
  H  H125  1  0.598465  0.568577  0.549540  1
  H  H126  1  0.931798  0.568577  0.549540  1
  H  H127  1  0.861768  0.992466  0.652289  1
  H  H128  1  0.195101  0.992466  0.652289  1
  H  H129  1  0.138917  0.128606  0.604404  1
  H  H130  1  0.924832  0.212825  0.624762  1
  H  H131  1  0.528435  0.992466  0.652289  1
  H  H132  1  0.472250  0.128606  0.604404  1
  H  H133  1  0.258165  0.212825  0.624762  1
  H  H134  1  0.106776  0.520075  0.617941  1
  H  H135  1  0.893668  0.603281  0.638176  1
  H  H136  1  0.805584  0.128606  0.604404  1
  H  H137  1  0.591498  0.212825  0.624762  1
  H  H138  1  0.440109  0.520075  0.617941  1
  H  H139  1  0.227002  0.603281  0.638176  1
  H  H140  1  0.170359  0.738994  0.590575  1
  H  H141  1  0.773443  0.520075  0.617941  1
  H  H142  1  0.560335  0.603281  0.638176  1
  H  H143  1  0.503693  0.738994  0.590575  1
  H  H144  1  0.837026  0.738994  0.590575  1
  H  H145  1  0.766775  0.174524  0.692776  1
  H  H146  1  0.100108  0.174524  0.692776  1
  H  H147  1  0.043432  0.299354  0.645115  1
  H  H148  1  0.830385  0.385379  0.665299  1
  H  H149  1  0.433441  0.174524  0.692776  1
  H  H150  1  0.376765  0.299354  0.645115  1
  H  H151  1  0.163718  0.385379  0.665299  1
  H  H152  1  0.011867  0.690282  0.659334  1
  H  H153  1  0.799130  0.773679  0.679394  1
  H  H154  1  0.710098  0.299354  0.645115  1
  H  H155  1  0.497051  0.385379  0.665299  1
  H  H156  1  0.345200  0.690282  0.659334  1
  H  H157  1  0.132463  0.773679  0.679394  1
  H  H158  1  0.075625  0.908910  0.631753  1
  H  H159  1  0.678533  0.690282  0.659334  1
  H  H160  1  0.465797  0.773679  0.679394  1
  H  H161  1  0.408958  0.908910  0.631753  1
  H  H162  1  0.742292  0.908910  0.631753  1
  H  H163  1  0.887988  0.266298  0.715446  1
  H  H164  1  0.221321  0.266298  0.715446  1
  H  H165  1  -0.050796  0.474246  0.686593  1
  H  H166  1  0.735668  0.562500  0.708451  1
  H  H167  1  0.554654  0.266298  0.715446  1
  H  H168  1  0.282537  0.474246  0.686593  1
  H  H169  1  0.069002  0.562500  0.708451  1
  H  H170  1  0.913604  0.864569  0.702842  1
  H  H171  1  0.709891  0.957574  0.721739  1
  H  H172  1  0.615871  0.474246  0.686593  1
  H  H173  1  0.402335  0.562500  0.708451  1
  H  H174  1  0.246937  0.864569  0.702842  1
  H  H175  1  0.043225  0.957574  0.721739  1
  H  H176  1  -0.019877  0.078105  0.672936  1
  H  H177  1  0.580271  0.864569  0.702842  1
  H  H178  1  0.376558  0.957574  0.721739  1
  H  H179  1  0.313457  0.078105  0.672936  1
  H  H180  1  0.646790  0.078105  0.672936  1
