# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.29731975
_cell_length_b   9.62474636
_cell_length_c   35.92752653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.04293050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H216
_cell_volume   4277.13533627
_cell_formula_units_Z   108
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  0.886048  0.365824  0.446725  1
  H  H2  1  0.070918  0.478472  0.435835  1
  H  H3  1  0.217396  0.363201  0.446813  1
  H  H4  1  0.207252  0.742182  0.461247  1
  H  H5  1  0.399315  0.474107  0.435754  1
  H  H6  1  0.382506  0.846815  0.448324  1
  H  H7  1  0.553015  0.354747  0.449851  1
  H  H8  1  0.583331  0.592532  0.424134  1
  H  H9  1  0.566547  -0.024125  0.435419  1
  H  H10  1  0.733382  0.477970  0.435413  1
  H  H11  1  0.719663  0.868248  0.447475  1
  H  H12  1  0.705355  0.239724  0.461238  1
  H  H13  1  0.872018  0.738087  0.461706  1
  H  H14  1  0.901176  -0.025344  0.435891  1
  H  H15  1  0.051013  0.865248  0.446733  1
  H  H16  1  0.038660  0.238260  0.461746  1
  H  H17  1  0.233899  -0.021499  0.435748  1
  H  H18  1  0.417125  0.092470  0.424125  1
  H  H19  1  0.847089  0.509685  0.487099  1
  H  H20  1  0.027217  0.631557  0.473072  1
  H  H21  1  0.180849  0.511014  0.487213  1
  H  H22  1  0.167930  -0.102733  0.498636  1
  H  H23  1  0.358454  0.622326  0.474987  1
  H  H24  1  0.347640  0.009147  0.486932  1
  H  H25  1  0.513913  0.509534  0.487296  1
  H  H26  1  0.537800  0.740392  0.462286  1
  H  H27  1  0.526000  0.122682  0.475115  1
  H  H28  1  0.694353  0.630748  0.474353  1
  H  H29  1  0.679688  0.010521  0.487301  1
  H  H30  1  0.668127  0.395925  0.499249  1
  H  H31  1  0.834534  -0.102640  0.498844  1
  H  H32  1  0.859702  0.130940  0.473446  1
  H  H33  1  0.013917  0.009800  0.487437  1
  H  H34  1  0.001031  0.397326  0.498646  1
  H  H35  1  0.193326  0.130667  0.473381  1
  H  H36  1  0.373387  0.242297  0.462150  1
  H  H37  1  0.808927  0.664614  0.524089  1
  H  H38  1  -0.011412  0.779433  0.511740  1
  H  H39  1  0.141971  0.664851  0.523668  1
  H  H40  1  0.129725  0.048228  0.536466  1
  H  H41  1  0.321381  0.778462  0.512129  1
  H  H42  1  0.308499  0.162405  0.523988  1
  H  H43  1  0.474941  0.661808  0.524573  1
  H  H44  1  0.499851  -0.107319  0.499717  1
  H  H45  1  0.488140  0.278077  0.511975  1
  H  H46  1  0.654819  0.779565  0.511558  1
  H  H47  1  0.641918  0.163586  0.524368  1
  H  H48  1  0.629459  0.547997  0.536503  1
  H  H49  1  0.796068  0.048211  0.536436  1
  H  H50  1  0.821709  0.279747  0.511742  1
  H  H51  1  -0.024970  0.164605  0.523950  1
  H  H52  1  -0.036947  0.548277  0.536347  1
  H  H53  1  0.154956  0.279704  0.511827  1
  H  H54  1  0.333849  0.393551  0.499518  1
  H  H55  1  0.770390  0.816647  0.561328  1
  H  H56  1  -0.050271  -0.067485  0.548977  1
  H  H57  1  0.103786  0.816491  0.561342  1
  H  H58  1  0.090729  0.200615  0.573862  1
  H  H59  1  0.282748  -0.068567  0.548991  1
  H  H60  1  0.270183  0.315373  0.561632  1
  H  H61  1  0.436696  0.815327  0.561786  1
  H  H62  1  0.462306  0.046860  0.536941  1
  H  H63  1  0.449420  0.430545  0.549242  1
  H  H64  1  0.616151  -0.068609  0.549220  1
  H  H65  1  0.603707  0.316348  0.561541  1
  H  H66  1  0.590850  0.699970  0.574010  1
  H  H67  1  0.757486  0.200357  0.573959  1
  H  H68  1  0.783243  0.432403  0.549068  1
  H  H69  1  0.937023  0.316653  0.561347  1
  H  H70  1  0.924302  0.700636  0.573870  1
  H  H71  1  0.116106  0.432571  0.548893  1
  H  H72  1  0.295685  0.546882  0.537021  1
  H  H73  1  0.731918  -0.031224  0.598911  1
  H  H74  1  0.911372  0.084926  0.586391  1
  H  H75  1  0.065222  -0.031112  0.598864  1
  H  H76  1  0.052315  0.353046  0.611406  1
  H  H77  1  0.244567  0.084089  0.586532  1
  H  H78  1  0.231560  0.468271  0.599058  1
  H  H79  1  0.398176  -0.031933  0.599109  1
  H  H80  1  0.423833  0.199488  0.574149  1
  H  H81  1  0.411194  0.583824  0.586696  1
  H  H82  1  0.577933  0.084446  0.586575  1
  H  H83  1  0.565175  0.468518  0.598980  1
  H  H84  1  0.552340  0.852717  0.611510  1
  H  H85  1  0.719116  0.353104  0.611418  1
  H  H86  1  0.744805  0.584956  0.586420  1
  H  H87  1  0.898599  0.468923  0.598861  1
  H  H88  1  0.885795  0.853156  0.611373  1
  H  H89  1  0.077961  0.584822  0.586375  1
  H  H90  1  0.257033  0.699911  0.574071  1
  H  H91  1  0.693474  0.121403  0.636393  1
  H  H92  1  0.872934  0.237273  0.623879  1
  H  H93  1  0.026764  0.121339  0.636405  1
  H  H94  1  0.013878  0.505483  0.648920  1
  H  H95  1  0.206049  0.236730  0.624012  1
  H  H96  1  0.193192  0.620949  0.636532  1
  H  H97  1  0.359900  0.120883  0.636547  1
  H  H98  1  0.385545  0.352367  0.611597  1
  H  H99  1  0.372637  0.736612  0.624053  1
  H  H100  1  0.539510  0.236982  0.623959  1
  H  H101  1  0.526786  0.621206  0.636442  1
  H  H102  1  0.513871  0.005407  0.648924  1
  H  H103  1  0.680707  0.505638  0.648878  1
  H  H104  1  0.706342  0.737247  0.623886  1
  H  H105  1  0.860189  0.621484  0.636374  1
  H  H106  1  0.847363  0.005646  0.648875  1
  H  H107  1  0.039543  0.737185  0.623900  1
  H  H108  1  0.218830  0.852592  0.611528  1
  H  H109  1  0.655057  0.274053  0.673861  1
  H  H110  1  0.834536  0.389833  0.661368  1
  H  H111  1  -0.011716  0.273848  0.673925  1
  H  H112  1  -0.024484  0.657959  0.686459  1
  H  H113  1  0.167609  0.389272  0.661533  1
  H  H114  1  0.154739  0.773426  0.674039  1
  H  H115  1  0.321497  0.273543  0.673984  1
  H  H116  1  0.347100  0.505128  0.649016  1
  H  H117  1  0.334231  0.889320  0.661512  1
  H  H118  1  0.501152  0.389672  0.661392  1
  H  H119  1  0.488300  0.773889  0.673876  1
  H  H120  1  0.475494  0.158149  0.686353  1
  H  H121  1  0.642300  0.658240  0.686328  1
  H  H122  1  0.667890  -0.110198  0.661356  1
  H  H123  1  0.821765  0.774053  0.673872  1
  H  H124  1  0.808943  0.158248  0.686351  1
  H  H125  1  0.001149  0.889638  0.661422  1
  H  H126  1  0.180428  0.005126  0.649017  1
  H  H127  1  0.616625  0.426728  0.711303  1
  H  H128  1  0.796173  0.542477  0.698850  1
  H  H129  1  -0.050137  0.426459  0.711473  1
  H  H130  1  0.937138  0.810422  0.723902  1
  H  H131  1  0.129060  0.541722  0.699046  1
  H  H132  1  0.116370  -0.074333  0.711610  1
  H  H133  1  0.283097  0.425955  0.711439  1
  H  H134  1  0.308650  0.657749  0.686476  1
  H  H135  1  0.295800  0.041930  0.698978  1
  H  H136  1  0.462766  0.542382  0.698805  1
  H  H137  1  0.449842  -0.073384  0.711276  1
  H  H138  1  0.437109  0.310911  0.723754  1
  H  H139  1  0.603899  0.810824  0.723740  1
  H  H140  1  0.629489  0.042498  0.698795  1
  H  H141  1  0.783316  -0.073251  0.711328  1
  H  H142  1  0.770595  0.310856  0.723813  1
  H  H143  1  -0.037269  0.042214  0.698901  1
  H  H144  1  0.142035  0.157519  0.686546  1
  H  H145  1  0.578274  0.579371  0.748760  1
  H  H146  1  0.757678  0.695282  0.736291  1
  H  H147  1  0.911525  0.578870  0.749013  1
  H  H148  1  0.898697  -0.036539  0.761109  1
  H  H149  1  0.090680  0.694011  0.736725  1
  H  H150  1  0.077893  0.077699  0.749029  1
  H  H151  1  0.244522  0.578653  0.748758  1
  H  H152  1  0.270019  0.810356  0.723961  1
  H  H153  1  0.257471  0.194038  0.736512  1
  H  H154  1  0.424390  0.694986  0.736225  1
  H  H155  1  0.411323  0.079672  0.748672  1
  H  H156  1  0.398969  0.463313  0.761111  1
  H  H157  1  0.565663  -0.036422  0.760985  1
  H  H158  1  0.590990  0.195244  0.736251  1
  H  H159  1  0.745048  0.079414  0.748810  1
  H  H160  1  0.732135  0.463695  0.761074  1
  H  H161  1  0.924299  0.195123  0.736404  1
  H  H162  1  0.103477  0.309878  0.724027  1
  H  H163  1  0.540128  0.731462  0.786066  1
  H  H164  1  0.719014  0.847783  0.773724  1
  H  H165  1  0.872965  0.731829  0.786021  1
  H  H166  1  0.860421  0.116538  0.798541  1
  H  H167  1  0.051961  0.845470  0.774223  1
  H  H168  1  0.039505  0.230179  0.786314  1
  H  H169  1  0.206225  0.730765  0.786577  1
  H  H170  1  0.231604  -0.037683  0.761644  1
  H  H171  1  0.218973  0.346310  0.773597  1
  H  H172  1  0.385774  0.848392  0.773284  1
  H  H173  1  0.373168  0.231806  0.786233  1
  H  H174  1  0.360315  0.616649  0.797957  1
  H  H175  1  0.526649  0.116839  0.798155  1
  H  H176  1  0.552298  0.348117  0.773644  1
  H  H177  1  0.706688  0.232021  0.785998  1
  H  H178  1  0.693872  0.617227  0.798510  1
  H  H179  1  0.885890  0.347837  0.774024  1
  H  H180  1  0.064892  0.462188  0.761607  1
  H  H181  1  0.501887  0.886990  0.822288  1
  H  H182  1  0.680597  -0.000639  0.811005  1
  H  H183  1  0.834807  0.887133  0.823045  1
  H  H184  1  0.821487  0.267729  0.836144  1
  H  H185  1  0.013724  -0.000995  0.811312  1
  H  H186  1  0.000824  0.379435  0.824405  1
  H  H187  1  0.166228  0.878943  0.823956  1
  H  H188  1  0.192877  0.113926  0.798858  1
  H  H189  1  0.181102  0.499095  0.810845  1
  H  H190  1  0.347450  0.000517  0.811077  1
  H  H191  1  0.334882  0.386787  0.822734  1
  H  H192  1  0.324168  0.769605  0.835802  1
  H  H193  1  0.488522  0.265615  0.836702  1
  H  H194  1  0.514241  0.499356  0.811244  1
  H  H195  1  0.668190  0.387318  0.822639  1
  H  H196  1  0.654522  0.765604  0.836772  1
  H  H197  1  0.846905  0.501044  0.811217  1
  H  H198  1  0.026308  0.613049  0.799317  1
  H  H199  1  0.464074  0.032332  0.863148  1
  H  H200  1  0.642380  0.157373  0.847945  1
  H  H201  1  0.793912  0.033262  0.862451  1
  H  H202  1  0.777276  0.418665  0.873914  1
  H  H203  1  -0.023682  0.147191  0.851169  1
  H  H204  1  -0.038432  0.532459  0.862481  1
  H  H205  1  0.126847  0.030252  0.862762  1
  H  H206  1  0.156424  0.270353  0.836863  1
  H  H207  1  0.142363  0.642534  0.850615  1
  H  H208  1  0.308210  0.156199  0.848456  1
  H  H209  1  0.294883  0.534415  0.862832  1
  H  H210  1  0.279680  -0.081392  0.873858  1
  H  H211  1  0.446328  0.420107  0.874012  1
  H  H212  1  0.474967  0.657089  0.848179  1
  H  H213  1  0.629890  0.530672  0.863012  1
  H  H214  1  0.610316  -0.080550  0.874149  1
  H  H215  1  0.812450  0.664243  0.849647  1
  H  H216  1  -0.012139  0.768312  0.837091  1
