# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60570007
_cell_length_b   13.77078394
_cell_length_c   48.63208201
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.23861553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H192
_cell_volume   7505.90501752
_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  0.778302  0.056604  0.310900  1
  H  H2  1  0.278302  0.056604  0.310900  1
  H  H3  1  0.217052  0.434104  0.292382  1
  H  H4  1  0.339552  0.679103  0.329419  1
  H  H5  1  0.717052  0.434104  0.292382  1
  H  H6  1  0.839552  0.679103  0.329419  1
  H  H7  1  0.492946  0.985891  0.300211  1
  H  H8  1  0.992946  0.985891  0.300211  1
  H  H9  1  0.931696  0.363391  0.281692  1
  H  H10  1  0.054195  0.608391  0.318729  1
  H  H11  1  0.431696  0.363391  0.281692  1
  H  H12  1  0.554195  0.608391  0.318729  1
  H  H13  1  0.589552  0.179103  0.329419  1
  H  H14  1  0.089552  0.179103  0.329419  1
  H  H15  1  0.028302  0.556604  0.310900  1
  H  H16  1  0.467052  0.934104  0.292382  1
  H  H17  1  0.528302  0.556604  0.310900  1
  H  H18  1  0.967052  0.934104  0.292382  1
  H  H19  1  0.804195  0.108391  0.318729  1
  H  H20  1  0.304195  0.108391  0.318729  1
  H  H21  1  0.242946  0.485891  0.300211  1
  H  H22  1  0.681696  0.863391  0.281692  1
  H  H23  1  0.742946  0.485891  0.300211  1
  H  H24  1  0.181696  0.863391  0.281692  1
  H  H25  1  0.462052  0.924103  0.366456  1
  H  H26  1  0.962052  0.924103  0.366456  1
  H  H27  1  0.900802  0.301603  0.347937  1
  H  H28  1  0.023301  0.546603  0.384974  1
  H  H29  1  0.400802  0.301603  0.347937  1
  H  H30  1  0.523301  0.546603  0.384974  1
  H  H31  1  0.176695  0.853391  0.355766  1
  H  H32  1  0.676695  0.853391  0.355766  1
  H  H33  1  0.615445  0.230891  0.337248  1
  H  H34  1  0.737945  0.475890  0.374285  1
  H  H35  1  0.115445  0.230891  0.337248  1
  H  H36  1  0.237945  0.475890  0.374285  1
  H  H37  1  0.273301  0.046603  0.384974  1
  H  H38  1  0.773301  0.046603  0.384974  1
  H  H39  1  0.712052  0.424103  0.366456  1
  H  H40  1  0.150802  0.801603  0.347937  1
  H  H41  1  0.212052  0.424103  0.366456  1
  H  H42  1  0.650802  0.801603  0.347937  1
  H  H43  1  0.487945  0.975890  0.374285  1
  H  H44  1  0.987945  0.975890  0.374285  1
  H  H45  1  0.926695  0.353391  0.355766  1
  H  H46  1  0.365445  0.730891  0.337248  1
  H  H47  1  0.426695  0.353391  0.355766  1
  H  H48  1  0.865445  0.730891  0.337248  1
  H  H49  1  0.145801  0.791603  0.422012  1
  H  H50  1  0.645801  0.791603  0.422012  1
  H  H51  1  0.584551  0.169103  0.403493  1
  H  H52  1  0.707051  0.414102  0.440530  1
  H  H53  1  0.084551  0.169103  0.403493  1
  H  H54  1  0.207051  0.414102  0.440530  1
  H  H55  1  0.860445  0.720890  0.411322  1
  H  H56  1  0.360445  0.720890  0.411322  1
  H  H57  1  0.299195  0.098390  0.392803  1
  H  H58  1  0.421695  0.343390  0.429840  1
  H  H59  1  0.799195  0.098390  0.392803  1
  H  H60  1  0.921695  0.343390  0.429840  1
  H  H61  1  0.957051  0.914102  0.440530  1
  H  H62  1  0.457051  0.914102  0.440530  1
  H  H63  1  0.395801  0.291603  0.422012  1
  H  H64  1  0.834551  0.669103  0.403493  1
  H  H65  1  0.895801  0.291603  0.422012  1
  H  H66  1  0.334551  0.669103  0.403493  1
  H  H67  1  0.171695  0.843390  0.429840  1
  H  H68  1  0.671695  0.843390  0.429840  1
  H  H69  1  0.610445  0.220890  0.411322  1
  H  H70  1  0.049195  0.598390  0.392803  1
  H  H71  1  0.110445  0.220890  0.411322  1
  H  H72  1  0.549195  0.598390  0.392803  1
  H  H73  1  0.829551  0.659102  0.477567  1
  H  H74  1  0.329551  0.659102  0.477567  1
  H  H75  1  0.268301  0.036602  0.459049  1
  H  H76  1  0.390801  0.281602  0.496086  1
  H  H77  1  0.768301  0.036602  0.459049  1
  H  H78  1  0.890801  0.281602  0.496086  1
  H  H79  1  0.544195  0.588390  0.466877  1
  H  H80  1  0.044195  0.588390  0.466877  1
  H  H81  1  0.982945  0.965890  0.448359  1
  H  H82  1  0.105445  0.210889  0.485396  1
  H  H83  1  0.482945  0.965890  0.448359  1
  H  H84  1  0.605445  0.210889  0.485396  1
  H  H85  1  0.640801  0.781602  0.496086  1
  H  H86  1  0.140801  0.781602  0.496086  1
  H  H87  1  0.079551  0.159102  0.477567  1
  H  H88  1  0.518301  0.536602  0.459049  1
  H  H89  1  0.579551  0.159102  0.477567  1
  H  H90  1  0.018301  0.536602  0.459049  1
  H  H91  1  0.855445  0.710889  0.485396  1
  H  H92  1  0.355445  0.710889  0.485396  1
  H  H93  1  0.294195  0.088390  0.466877  1
  H  H94  1  0.732945  0.465890  0.448359  1
  H  H95  1  0.794195  0.088390  0.466877  1
  H  H96  1  0.232945  0.465890  0.448359  1
  H  H97  1  0.513301  0.526602  0.533123  1
  H  H98  1  0.013301  0.526602  0.533123  1
  H  H99  1  0.952051  0.904102  0.514604  1
  H  H100  1  0.074551  0.149101  0.551641  1
  H  H101  1  0.452051  0.904102  0.514604  1
  H  H102  1  0.574551  0.149101  0.551641  1
  H  H103  1  0.227945  0.455889  0.522433  1
  H  H104  1  0.727945  0.455889  0.522433  1
  H  H105  1  0.666695  0.833389  0.503914  1
  H  H106  1  0.789194  0.078389  0.540951  1
  H  H107  1  0.166695  0.833389  0.503914  1
  H  H108  1  0.289194  0.078389  0.540951  1
  H  H109  1  0.324551  0.649101  0.551641  1
  H  H110  1  0.824551  0.649101  0.551641  1
  H  H111  1  0.763301  0.026602  0.533123  1
  H  H112  1  0.202051  0.404102  0.514604  1
  H  H113  1  0.263301  0.026602  0.533123  1
  H  H114  1  0.702051  0.404102  0.514604  1
  H  H115  1  0.539194  0.578389  0.540951  1
  H  H116  1  0.039194  0.578389  0.540951  1
  H  H117  1  0.977945  0.955889  0.522433  1
  H  H118  1  0.416695  0.333389  0.503914  1
  H  H119  1  0.477945  0.955889  0.522433  1
  H  H120  1  0.916695  0.333389  0.503914  1
  H  H121  1  0.197051  0.394101  0.588678  1
  H  H122  1  0.697051  0.394101  0.588678  1
  H  H123  1  0.635801  0.771601  0.570160  1
  H  H124  1  0.758300  0.016601  0.607197  1
  H  H125  1  0.135801  0.771601  0.570160  1
  H  H126  1  0.258300  0.016601  0.607197  1
  H  H127  1  0.911694  0.323389  0.577988  1
  H  H128  1  0.411694  0.323389  0.577988  1
  H  H129  1  0.350444  0.700889  0.559470  1
  H  H130  1  0.472944  0.945888  0.596507  1
  H  H131  1  0.850444  0.700889  0.559470  1
  H  H132  1  0.972944  0.945888  0.596507  1
  H  H133  1  0.008300  0.516601  0.607197  1
  H  H134  1  0.508300  0.516601  0.607197  1
  H  H135  1  0.447051  0.894101  0.588678  1
  H  H136  1  0.885801  0.271601  0.570160  1
  H  H137  1  0.947051  0.894101  0.588678  1
  H  H138  1  0.385801  0.271601  0.570160  1
  H  H139  1  0.222944  0.445888  0.596507  1
  H  H140  1  0.722944  0.445888  0.596507  1
  H  H141  1  0.661694  0.823389  0.577988  1
  H  H142  1  0.100444  0.200889  0.559470  1
  H  H143  1  0.161694  0.823389  0.577988  1
  H  H144  1  0.600444  0.200889  0.559470  1
  H  H145  1  0.880800  0.261601  0.644234  1
  H  H146  1  0.380800  0.261601  0.644234  1
  H  H147  1  0.319550  0.639101  0.625715  1
  H  H148  1  0.442050  0.884100  0.662752  1
  H  H149  1  0.819550  0.639101  0.625715  1
  H  H150  1  0.942050  0.884100  0.662752  1
  H  H151  1  0.595444  0.190888  0.633544  1
  H  H152  1  0.095444  0.190888  0.633544  1
  H  H153  1  0.034194  0.568388  0.615026  1
  H  H154  1  0.156694  0.813388  0.652063  1
  H  H155  1  0.534194  0.568388  0.615026  1
  H  H156  1  0.656694  0.813388  0.652063  1
  H  H157  1  0.692050  0.384100  0.662752  1
  H  H158  1  0.192050  0.384100  0.662752  1
  H  H159  1  0.130800  0.761601  0.644234  1
  H  H160  1  0.569550  0.139101  0.625715  1
  H  H161  1  0.630800  0.761601  0.644234  1
  H  H162  1  0.069550  0.139101  0.625715  1
  H  H163  1  0.906694  0.313388  0.652063  1
  H  H164  1  0.406694  0.313388  0.652063  1
  H  H165  1  0.345444  0.690888  0.633544  1
  H  H166  1  0.784194  0.068388  0.615026  1
  H  H167  1  0.845444  0.690888  0.633544  1
  H  H168  1  0.284194  0.068388  0.615026  1
  H  H169  1  0.564550  0.129100  0.699789  1
  H  H170  1  0.064550  0.129100  0.699789  1
  H  H171  1  0.003300  0.506600  0.681271  1
  H  H172  1  0.125800  0.751600  0.718308  1
  H  H173  1  0.503300  0.506600  0.681271  1
  H  H174  1  0.625800  0.751600  0.718308  1
  H  H175  1  0.279194  0.058388  0.689100  1
  H  H176  1  0.779194  0.058388  0.689100  1
  H  H177  1  0.717944  0.435888  0.670581  1
  H  H178  1  0.840444  0.680887  0.707618  1
  H  H179  1  0.217944  0.435888  0.670581  1
  H  H180  1  0.340444  0.680887  0.707618  1
  H  H181  1  0.375800  0.251600  0.718308  1
  H  H182  1  0.875800  0.251600  0.718308  1
  H  H183  1  0.814550  0.629100  0.699789  1
  H  H184  1  0.253300  0.006600  0.681271  1
  H  H185  1  0.314550  0.629100  0.699789  1
  H  H186  1  0.753300  0.006600  0.681271  1
  H  H187  1  0.590444  0.180887  0.707618  1
  H  H188  1  0.090444  0.180887  0.707618  1
  H  H189  1  0.029194  0.558388  0.689100  1
  H  H190  1  0.467944  0.935888  0.670581  1
  H  H191  1  0.529194  0.558388  0.689100  1
  H  H192  1  0.967944  0.935888  0.670581  1
