# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99412202
_cell_length_b   8.94012673
_cell_length_c   46.85570328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.66364774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   3814.49324542
_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  0.217725  0.085069  0.279009  1
  H  H2  1  0.598005  0.109137  0.270431  1
  H  H3  1  0.832452  0.046813  0.289092  1
  H  H4  1  0.217725  0.585069  0.279009  1
  H  H5  1  0.598005  0.609137  0.270431  1
  H  H6  1  0.832452  0.546813  0.289092  1
  H  H7  1  0.994854  0.274853  0.297819  1
  H  H8  1  0.371030  0.301551  0.287952  1
  H  H9  1  0.755300  0.324879  0.278475  1
  H  H10  1  0.994854  0.774853  0.297819  1
  H  H11  1  0.371030  0.801551  0.287952  1
  H  H12  1  0.755300  0.824879  0.278475  1
  H  H13  1  0.062105  0.998315  0.306817  1
  H  H14  1  0.448911  0.019266  0.298171  1
  H  H15  1  0.668025  0.986124  0.318491  1
  H  H16  1  0.062105  0.498315  0.306817  1
  H  H17  1  0.448911  0.519266  0.298171  1
  H  H18  1  0.668025  0.486124  0.318491  1
  H  H19  1  0.836711  0.215294  0.327174  1
  H  H20  1  0.223932  0.235187  0.318651  1
  H  H21  1  0.608980  0.257329  0.309468  1
  H  H22  1  0.836711  0.715294  0.327174  1
  H  H23  1  0.223932  0.735187  0.318651  1
  H  H24  1  0.608980  0.757329  0.309468  1
  H  H25  1  0.891600  0.945471  0.336593  1
  H  H26  1  0.280108  0.965860  0.327545  1
  H  H27  1  0.500486  0.927690  0.346614  1
  H  H28  1  0.891600  0.445471  0.336593  1
  H  H29  1  0.280108  0.465860  0.327545  1
  H  H30  1  0.500486  0.427690  0.346614  1
  H  H31  1  0.672290  0.156625  0.355936  1
  H  H32  1  0.060037  0.174860  0.345797  1
  H  H33  1  0.448057  0.195528  0.336481  1
  H  H34  1  0.672290  0.656625  0.355936  1
  H  H35  1  0.060037  0.674860  0.345797  1
  H  H36  1  0.448057  0.695528  0.336481  1
  H  H37  1  0.723888  0.886708  0.365014  1
  H  H38  1  0.111871  0.907377  0.355584  1
  H  H39  1  0.334241  0.867208  0.374307  1
  H  H40  1  0.723888  0.386708  0.365014  1
  H  H41  1  0.111871  0.407377  0.355584  1
  H  H42  1  0.334241  0.367208  0.374307  1
  H  H43  1  0.506452  0.098179  0.384022  1
  H  H44  1  0.895252  0.116988  0.374525  1
  H  H45  1  0.283126  0.137151  0.365366  1
  H  H46  1  0.506452  0.598179  0.384022  1
  H  H47  1  0.895252  0.616988  0.374525  1
  H  H48  1  0.283126  0.637151  0.365366  1
  H  H49  1  0.556166  0.828952  0.393242  1
  H  H50  1  0.945684  0.847597  0.383544  1
  H  H51  1  0.167101  0.809429  0.402527  1
  H  H52  1  0.556166  0.328952  0.393242  1
  H  H53  1  0.945684  0.347597  0.383544  1
  H  H54  1  0.167101  0.309429  0.402527  1
  H  H55  1  0.340019  0.038763  0.412306  1
  H  H56  1  0.729096  0.058122  0.402909  1
  H  H57  1  0.117591  0.078247  0.393375  1
  H  H58  1  0.340019  0.538763  0.412306  1
  H  H59  1  0.729096  0.558122  0.402909  1
  H  H60  1  0.117591  0.578247  0.393375  1
  H  H61  1  0.389361  0.769862  0.421296  1
  H  H62  1  0.778580  0.789216  0.411863  1
  H  H63  1  1.000630  0.750249  0.430652  1
  H  H64  1  0.389361  0.269862  0.421296  1
  H  H65  1  0.778580  0.289216  0.411863  1
  H  H66  1  1.000630  0.250249  0.430652  1
  H  H67  1  0.173469  0.980045  0.440538  1
  H  H68  1  0.562403  0.999640  0.431147  1
  H  H69  1  0.951293  0.019045  0.421667  1
  H  H70  1  0.173469  0.480045  0.440538  1
  H  H71  1  0.562403  0.499640  0.431147  1
  H  H72  1  0.951293  0.519045  0.421667  1
  H  H73  1  0.222848  0.711112  0.449506  1
  H  H74  1  0.611775  0.730654  0.440115  1
  H  H75  1  0.834108  0.691350  0.458901  1
  H  H76  1  0.222848  0.211112  0.449506  1
  H  H77  1  0.611775  0.230654  0.440115  1
  H  H78  1  0.834108  0.191350  0.458901  1
  H  H79  1  0.006985  0.921008  0.468772  1
  H  H80  1  0.395818  0.940660  0.459371  1
  H  H81  1  0.784748  0.960157  0.449963  1
  H  H82  1  0.006985  0.421008  0.468772  1
  H  H83  1  0.395818  0.440660  0.459371  1
  H  H84  1  0.784748  0.460157  0.449963  1
  H  H85  1  0.056310  0.652236  0.477732  1
  H  H86  1  0.445139  0.671864  0.468331  1
  H  H87  1  0.667487  0.632561  0.487145  1
  H  H88  1  0.056310  0.152236  0.477732  1
  H  H89  1  0.445139  0.171864  0.468331  1
  H  H90  1  0.667487  0.132561  0.487145  1
  H  H91  1  0.840428  0.862121  0.497024  1
  H  H92  1  0.229223  0.881827  0.487611  1
  H  H93  1  0.618130  0.901381  0.478201  1
  H  H94  1  0.840428  0.362121  0.497024  1
  H  H95  1  0.229223  0.381827  0.487611  1
  H  H96  1  0.618130  0.401381  0.478201  1
  H  H97  1  0.889792  0.593300  0.505968  1
  H  H98  1  0.278587  0.613006  0.496556  1
  H  H99  1  0.500885  0.573746  0.515379  1
  H  H100  1  0.889792  0.093300  0.505968  1
  H  H101  1  0.278587  0.113006  0.496556  1
  H  H102  1  0.500885  0.073746  0.515379  1
  H  H103  1  0.673876  0.803263  0.525249  1
  H  H104  1  0.062705  0.822892  0.515848  1
  H  H105  1  0.451528  0.842566  0.506435  1
  H  H106  1  0.673876  0.303263  0.525249  1
  H  H107  1  0.062705  0.322892  0.515848  1
  H  H108  1  0.451528  0.342566  0.506435  1
  H  H109  1  0.723197  0.534467  0.534209  1
  H  H110  1  0.112031  0.554119  0.524808  1
  H  H111  1  0.334267  0.514970  0.543617  1
  H  H112  1  0.723197  0.034467  0.534209  1
  H  H113  1  0.112031  0.054119  0.524808  1
  H  H114  1  0.334267  0.014970  0.543617  1
  H  H115  1  0.507240  0.744473  0.553465  1
  H  H116  1  0.896167  0.764015  0.544074  1
  H  H117  1  0.284907  0.783777  0.534679  1
  H  H118  1  0.507240  0.244473  0.553465  1
  H  H119  1  0.896167  0.264015  0.544074  1
  H  H120  1  0.284907  0.283777  0.534679  1
  H  H121  1  0.556612  0.475487  0.562433  1
  H  H122  1  0.945546  0.495082  0.553042  1
  H  H123  1  0.167722  0.456082  0.571913  1
  H  H124  1  0.556612  0.975487  0.562433  1
  H  H125  1  0.945546  0.995082  0.553042  1
  H  H126  1  0.167722  0.956082  0.571913  1
  H  H127  1  0.340435  0.685911  0.581717  1
  H  H128  1  0.729654  0.705265  0.572284  1
  H  H129  1  0.118386  0.724878  0.562928  1
  H  H130  1  0.340435  0.185911  0.581717  1
  H  H131  1  0.729654  0.205265  0.572284  1
  H  H132  1  0.118386  0.224878  0.562928  1
  H  H133  1  0.389919  0.417006  0.590671  1
  H  H134  1  0.778997  0.436364  0.581274  1
  H  H135  1  1.001424  0.396880  0.600205  1
  H  H136  1  0.389919  0.917006  0.590671  1
  H  H137  1  0.778997  0.936364  0.581274  1
  H  H138  1  1.001424  0.896880  0.600205  1
  H  H139  1  0.173331  0.627530  0.610036  1
  H  H140  1  0.562849  0.646175  0.600338  1
  H  H141  1  0.951914  0.665698  0.591053  1
  H  H142  1  0.173331  0.127530  0.610036  1
  H  H143  1  0.562849  0.146175  0.600338  1
  H  H144  1  0.951914  0.165698  0.591053  1
  H  H145  1  0.223764  0.358139  0.619055  1
  H  H146  1  0.612563  0.376948  0.609558  1
  H  H147  1  0.835889  0.337976  0.628214  1
  H  H148  1  0.223764  0.858139  0.619055  1
  H  H149  1  0.612563  0.876948  0.609558  1
  H  H150  1  0.835889  0.837976  0.628214  1
  H  H151  1  0.007145  0.567750  0.637996  1
  H  H152  1  0.395127  0.588419  0.628566  1
  H  H153  1  0.784774  0.607919  0.619273  1
  H  H154  1  0.007145  0.067750  0.637996  1
  H  H155  1  0.395127  0.088419  0.628566  1
  H  H156  1  0.784774  0.107919  0.619273  1
  H  H157  1  0.058978  0.300268  0.647783  1
  H  H158  1  0.446725  0.318502  0.637644  1
  H  H159  1  0.670958  0.279599  0.657099  1
  H  H160  1  0.058978  0.800268  0.647783  1
  H  H161  1  0.446725  0.818502  0.637644  1
  H  H162  1  0.670958  0.779599  0.657099  1
  H  H163  1  0.838907  0.509267  0.666035  1
  H  H164  1  0.227415  0.529656  0.656987  1
  H  H165  1  0.618529  0.547437  0.646966  1
  H  H166  1  0.838907  0.009267  0.666035  1
  H  H167  1  0.227415  0.029656  0.656987  1
  H  H168  1  0.618529  0.047437  0.646966  1
  H  H169  1  0.895083  0.239940  0.674929  1
  H  H170  1  0.282304  0.259834  0.666406  1
  H  H171  1  0.510036  0.217798  0.684112  1
  H  H172  1  0.895083  0.739940  0.674929  1
  H  H173  1  0.282304  0.759834  0.666406  1
  H  H174  1  0.510036  0.717798  0.684112  1
  H  H175  1  0.670104  0.455861  0.695409  1
  H  H176  1  0.056910  0.476812  0.686763  1
  H  H177  1  0.450991  0.489003  0.675089  1
  H  H178  1  0.670104  0.955861  0.695409  1
  H  H179  1  0.056910  0.976812  0.686763  1
  H  H180  1  0.450991  0.989003  0.675089  1
  H  H181  1  0.747985  0.173576  0.705628  1
  H  H182  1  0.124161  0.200274  0.695761  1
  H  H183  1  0.363715  0.150248  0.715105  1
  H  H184  1  0.747985  0.673576  0.705628  1
  H  H185  1  0.124161  0.700274  0.695761  1
  H  H186  1  0.363715  0.650248  0.715105  1
  H  H187  1  0.521011  0.365991  0.723149  1
  H  H188  1  0.901290  0.390058  0.714571  1
  H  H189  1  0.286563  0.428314  0.704488  1
  H  H190  1  0.521011  0.865991  0.723149  1
  H  H191  1  0.901290  0.890058  0.714571  1
  H  H192  1  0.286563  0.928314  0.704488  1
