# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18354239
_cell_length_b   8.50252260
_cell_length_c   50.18517953
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.37840514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2965.95202862
_cell_formula_units_Z   72
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  0.424559  0.670309  0.230481  1
  H  H2  1  0.708246  0.610993  0.255960  1
  H  H3  1  1.017151  0.630022  0.237762  1
  H  H4  1  0.424559  0.170309  0.230481  1
  H  H5  1  0.708246  0.110993  0.255960  1
  H  H6  1  1.017151  0.130022  0.237762  1
  H  H7  1  1.155906  0.346092  0.250728  1
  H  H8  1  0.562376  0.390170  0.242955  1
  H  H9  1  0.866090  0.413175  0.226054  1
  H  H10  1  1.155906  0.846092  0.250728  1
  H  H11  1  0.562376  0.890170  0.242955  1
  H  H12  1  0.866090  0.913175  0.226054  1
  H  H13  1  0.290326  0.554794  0.264544  1
  H  H14  1  0.570113  0.480955  0.288651  1
  H  H15  1  0.985181  0.534906  0.281381  1
  H  H16  1  0.290326  0.054794  0.264544  1
  H  H17  1  0.570113  -0.019045  0.288651  1
  H  H18  1  0.985181  0.034906  0.281381  1
  H  H19  1  1.124339  0.248341  0.293906  1
  H  H20  1  0.430286  0.267041  0.276756  1
  H  H21  1  0.847282  0.321654  0.269246  1
  H  H22  1  1.124339  0.748341  0.293906  1
  H  H23  1  0.430286  0.767041  0.276756  1
  H  H24  1  0.847282  0.821654  0.269246  1
  H  H25  1  0.263214  0.459568  0.306780  1
  H  H26  1  0.541331  0.385946  0.331609  1
  H  H27  1  0.846342  0.408113  0.314116  1
  H  H28  1  0.263214  0.959568  0.306780  1
  H  H29  1  0.541331  0.885946  0.331609  1
  H  H30  1  0.846342  0.908113  0.314116  1
  H  H31  1  0.985370  0.121224  0.326580  1
  H  H32  1  0.402328  0.171912  0.319172  1
  H  H33  1  0.707834  0.194019  0.301528  1
  H  H34  1  0.985370  0.621224  0.326580  1
  H  H35  1  0.402328  0.671912  0.319172  1
  H  H36  1  0.707834  0.694019  0.301528  1
  H  H37  1  1.123722  0.333905  0.339237  1
  H  H38  1  0.401112  0.260821  0.364312  1
  H  H39  1  0.818562  0.312499  0.356893  1
  H  H40  1  1.123722  0.833905  0.339237  1
  H  H41  1  0.401112  0.760821  0.364312  1
  H  H42  1  0.818562  0.812499  0.356893  1
  H  H43  1  0.957377  0.025858  0.369454  1
  H  H44  1  0.262306  0.047367  0.351829  1
  H  H45  1  0.679894  0.099337  0.344332  1
  H  H46  1  0.957377  0.525858  0.369454  1
  H  H47  1  0.262306  0.547367  0.351829  1
  H  H48  1  0.679894  0.599337  0.344332  1
  H  H49  1  1.096020  0.239135  0.382076  1
  H  H50  1  0.373506  0.165713  0.407193  1
  H  H51  1  0.678274  0.187345  0.389489  1
  H  H52  1  1.096020  0.739135  0.382076  1
  H  H53  1  0.373506  0.665713  0.407193  1
  H  H54  1  0.678274  0.687345  0.389489  1
  H  H55  1  0.816917  0.900732  0.402054  1
  H  H56  1  0.234763  0.952341  0.394649  1
  H  H57  1  0.539702  -0.026045  0.376890  1
  H  H58  1  0.816917  0.400732  0.402054  1
  H  H59  1  0.234763  0.452341  0.394649  1
  H  H60  1  0.539702  0.473955  0.376890  1
  H  H61  1  0.955575  0.114005  0.414637  1
  H  H62  1  0.232921  0.040734  0.439781  1
  H  H63  1  0.650806  0.092439  0.432365  1
  H  H64  1  0.955575  0.614005  0.414637  1
  H  H65  1  0.232921  0.540734  0.439781  1
  H  H66  1  0.650806  0.592439  0.432365  1
  H  H67  1  0.789477  0.805784  0.444942  1
  H  H68  1  1.094231  0.827358  0.427214  1
  H  H69  1  0.512169  0.879091  0.419782  1
  H  H70  1  0.789477  0.305784  0.444942  1
  H  H71  1  1.094231  0.327358  0.427214  1
  H  H72  1  0.512169  0.379091  0.419782  1
  H  H73  1  0.928132  0.019119  0.457516  1
  H  H74  1  0.205477  0.945849  0.482660  1
  H  H75  1  0.510247  0.967414  0.464932  1
  H  H76  1  0.928132  0.519119  0.457516  1
  H  H77  1  0.205477  0.445849  0.482660  1
  H  H78  1  0.510247  0.467414  0.464932  1
  H  H79  1  0.648884  0.680763  0.477515  1
  H  H80  1  1.066822  0.732495  0.470083  1
  H  H81  1  0.371576  0.754069  0.452355  1
  H  H82  1  0.648884  0.180763  0.477515  1
  H  H83  1  1.066822  0.232495  0.470083  1
  H  H84  1  0.371576  0.254069  0.452355  1
  H  H85  1  0.787546  0.894140  0.490104  1
  H  H86  1  1.065032  0.820718  0.515221  1
  H  H87  1  0.482779  0.872508  0.507808  1
  H  H88  1  0.787546  0.394140  0.490104  1
  H  H89  1  1.065032  0.320718  0.515221  1
  H  H90  1  0.482779  0.372508  0.507808  1
  H  H91  1  0.621351  0.585898  0.520407  1
  H  H92  1  0.926289  0.607512  0.502648  1
  H  H93  1  0.344135  0.659121  0.495243  1
  H  H94  1  0.621351  0.085898  0.520407  1
  H  H95  1  0.926289  0.107512  0.502648  1
  H  H96  1  0.344135  0.159121  0.495243  1
  H  H97  1  0.759941  0.799032  0.532985  1
  H  H98  1  1.037331  0.725948  0.558060  1
  H  H99  1  0.342490  0.747355  0.540404  1
  H  H100  1  0.759941  0.299032  0.532985  1
  H  H101  1  1.037331  0.225948  0.558060  1
  H  H102  1  0.342490  0.247355  0.540404  1
  H  H103  1  0.481159  0.460516  0.552965  1
  H  H104  1  0.898746  0.512487  0.545468  1
  H  H105  1  0.203676  0.533995  0.527843  1
  H  H106  1  0.481159  0.960516  0.552965  1
  H  H107  1  0.898746  0.012487  0.545468  1
  H  H108  1  0.203676  0.033995  0.527843  1
  H  H109  1  0.619722  0.673907  0.565688  1
  H  H110  1  0.897838  0.600286  0.590517  1
  H  H111  1  0.314711  0.651740  0.583181  1
  H  H112  1  0.619722  0.173907  0.565688  1
  H  H113  1  0.897838  0.100286  0.590517  1
  H  H114  1  0.314711  0.151740  0.583181  1
  H  H115  1  0.453218  0.365834  0.595769  1
  H  H116  1  0.758725  0.387941  0.578125  1
  H  H117  1  0.175682  0.438630  0.570717  1
  H  H118  1  0.453218  0.865834  0.595769  1
  H  H119  1  0.758725  0.887941  0.578125  1
  H  H120  1  0.175682  0.938630  0.570717  1
  H  H121  1  0.590939  0.578899  0.608646  1
  H  H122  1  0.870727  0.505059  0.632753  1
  H  H123  1  0.175872  0.524947  0.615916  1
  H  H124  1  0.590939  0.078899  0.608646  1
  H  H125  1  0.870727  0.005059  0.632753  1
  H  H126  1  0.175872  0.024947  0.615916  1
  H  H127  1  0.313770  0.238199  0.628051  1
  H  H128  1  0.730767  0.292813  0.620541  1
  H  H129  1  1.036714  0.311512  0.603391  1
  H  H130  1  0.313770  0.738199  0.628051  1
  H  H131  1  0.730767  0.792813  0.620541  1
  H  H132  1  1.036714  0.811512  0.603391  1
  H  H133  1  0.452807  0.448861  0.641337  1
  H  H134  1  0.736494  0.389545  0.666817  1
  H  H135  1  1.143902  0.429831  0.659535  1
  H  H136  1  0.452807  0.948861  0.641337  1
  H  H137  1  0.736494  0.889545  0.666817  1
  H  H138  1  1.143902  0.929831  0.659535  1
  H  H139  1  0.294963  0.146678  0.671243  1
  H  H140  1  0.598677  0.169684  0.654342  1
  H  H141  1  1.005147  0.213761  0.646569  1
  H  H142  1  0.294963  0.646678  0.671243  1
  H  H143  1  0.598677  0.669684  0.654342  1
  H  H144  1  1.005147  0.713761  0.646569  1
