# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99663160
_cell_length_b   5.96458877
_cell_length_c   82.45544699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.17169408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H144
_cell_volume   2928.30123977
_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  0.236154  1.087999  0.062931  1
  H  H2  1  0.977757  1.012670  0.082601  1
  H  H3  1  0.902821  0.754665  0.062931  1
  H  H4  1  0.613597  1.043227  0.072061  1
  H  H5  1  0.644424  0.679336  0.082601  1
  H  H6  1  0.569488  0.421332  0.062931  1
  H  H7  1  0.280264  0.709894  0.072061  1
  H  H8  1  0.311090  0.346003  0.082601  1
  H  H9  1  0.946930  0.376561  0.072061  1
  H  H10  1  0.345505  0.978132  0.091469  1
  H  H11  1  1.077258  0.913179  0.110405  1
  H  H12  1  1.012171  0.644799  0.091469  1
  H  H13  1  0.709828  0.947265  0.101111  1
  H  H14  1  0.743924  0.579845  0.110405  1
  H  H15  1  0.678838  0.311465  0.091469  1
  H  H16  1  0.376495  0.613932  0.101111  1
  H  H17  1  0.410591  0.246512  0.110405  1
  H  H18  1  1.043162  0.280599  0.101111  1
  H  H19  1  0.442979  0.880846  0.119879  1
  H  H20  1  0.175661  0.814901  0.138734  1
  H  H21  1  1.109646  0.547512  0.119879  1
  H  H22  1  0.809496  0.847692  0.129277  1
  H  H23  1  0.842327  0.481568  0.138734  1
  H  H24  1  0.776312  0.214179  0.119879  1
  H  H25  1  0.476163  0.514359  0.129277  1
  H  H26  1  0.508994  1.148234  0.138734  1
  H  H27  1  0.142829  0.181025  0.129277  1
  H  H28  1  0.542015  0.781914  0.148159  1
  H  H29  1  0.274558  0.716110  0.167036  1
  H  H30  1  0.208681  0.448581  0.148159  1
  H  H31  1  0.908252  0.749048  0.157602  1
  H  H32  1  0.941224  0.382777  0.167036  1
  H  H33  1  0.875348  1.115247  0.148159  1
  H  H34  1  0.574918  0.415714  0.157602  1
  H  H35  1  0.607891  1.049444  0.167036  1
  H  H36  1  0.241585  1.082381  0.157602  1
  H  H37  1  0.640826  0.683212  0.176474  1
  H  H38  1  0.373392  0.617385  0.195347  1
  H  H39  1  0.307493  0.349878  0.176474  1
  H  H40  1  1.007114  0.650293  0.185910  1
  H  H41  1  1.040058  0.284052  0.195347  1
  H  H42  1  0.974160  1.016545  0.176474  1
  H  H43  1  0.673781  0.316960  0.185910  1
  H  H44  1  0.706725  0.950718  0.195347  1
  H  H45  1  0.340447  0.983626  0.185910  1
  H  H46  1  0.739675  0.584471  0.204784  1
  H  H47  1  0.472237  0.518648  0.223657  1
  H  H48  1  0.406342  0.251138  0.204784  1
  H  H49  1  1.105955  0.551560  0.214221  1
  H  H50  1  1.138903  0.185315  0.223657  1
  H  H51  1  1.073008  0.917804  0.204784  1
  H  H52  1  0.772622  0.218227  0.214221  1
  H  H53  1  0.805570  0.851981  0.223657  1
  H  H54  1  0.439288  0.884894  0.214221  1
  H  H55  1  0.838518  0.485736  0.233094  1
  H  H56  1  0.571080  0.419913  0.251967  1
  H  H57  1  0.505184  1.152403  0.233094  1
  H  H58  1  0.204799  0.452824  0.242531  1
  H  H59  1  0.237747  1.086579  0.251967  1
  H  H60  1  0.171851  0.819070  0.233094  1
  H  H61  1  0.871466  1.119491  0.242531  1
  H  H62  1  0.904413  0.753246  0.251967  1
  H  H63  1  0.538132  0.786158  0.242531  1
  H  H64  1  0.937361  0.387001  0.261404  1
  H  H65  1  0.669924  0.321177  0.280278  1
  H  H66  1  0.604028  1.053667  0.261404  1
  H  H67  1  0.303643  0.354089  0.270841  1
  H  H68  1  0.336590  0.987844  0.280278  1
  H  H69  1  0.270695  0.720334  0.261404  1
  H  H70  1  0.970309  1.020756  0.270841  1
  H  H71  1  1.003257  0.654511  0.280278  1
  H  H72  1  0.636976  0.687422  0.270841  1
  H  H73  1  1.036205  0.288265  0.289714  1
  H  H74  1  0.768767  0.222442  0.308588  1
  H  H75  1  0.702872  0.954932  0.289714  1
  H  H76  1  0.402486  0.255354  0.299151  1
  H  H77  1  0.435434  0.889108  0.308588  1
  H  H78  1  0.369538  0.621599  0.289714  1
  H  H79  1  1.069153  0.922020  0.299151  1
  H  H80  1  1.102101  0.555775  0.308588  1
  H  H81  1  0.735819  0.588687  0.299151  1
  H  H82  1  1.135049  0.189530  0.318024  1
  H  H83  1  0.867611  1.123706  0.336898  1
  H  H84  1  0.801715  0.856197  0.318024  1
  H  H85  1  0.501330  1.156618  0.327461  1
  H  H86  1  0.534278  0.790373  0.336898  1
  H  H87  1  0.468382  0.522863  0.318024  1
  H  H88  1  0.167996  0.823285  0.327461  1
  H  H89  1  0.200944  0.457039  0.336898  1
  H  H90  1  0.834663  0.489951  0.327461  1
  H  H91  1  0.233892  1.090795  0.346335  1
  H  H92  1  0.966454  1.024972  0.365208  1
  H  H93  1  0.900559  0.757461  0.346335  1
  H  H94  1  0.600174  1.057882  0.355771  1
  H  H95  1  0.633120  0.691638  0.365208  1
  H  H96  1  0.567225  0.424128  0.346335  1
  H  H97  1  0.266840  0.724549  0.355771  1
  H  H98  1  0.299787  0.358305  0.365208  1
  H  H99  1  0.933507  0.391216  0.355771  1
  H  H100  1  0.332737  0.992058  0.374645  1
  H  H101  1  1.065302  0.926231  0.393518  1
  H  H102  1  0.999404  0.658724  0.374645  1
  H  H103  1  0.699015  0.959150  0.384082  1
  H  H104  1  0.731969  0.592898  0.393518  1
  H  H105  1  0.666070  0.325391  0.374645  1
  H  H106  1  0.365681  0.625816  0.384082  1
  H  H107  1  0.398636  0.259564  0.393518  1
  H  H108  1  1.032348  0.292483  0.384082  1
  H  H109  1  0.431571  0.893332  0.402956  1
  H  H110  1  0.164114  0.827528  0.421833  1
  H  H111  1  1.098238  0.559999  0.402956  1
  H  H112  1  0.797877  0.860395  0.412390  1
  H  H113  1  0.830781  0.494195  0.421833  1
  H  H114  1  0.764904  0.226666  0.402956  1
  H  H115  1  0.464544  0.527062  0.412390  1
  H  H116  1  0.497447  1.160862  0.421833  1
  H  H117  1  1.131210  0.193728  0.412390  1
  H  H118  1  0.530468  0.794542  0.431258  1
  H  H119  1  0.263150  0.728597  0.450113  1
  H  H120  1  0.197135  0.461208  0.431258  1
  H  H121  1  0.896633  0.761751  0.440715  1
  H  H122  1  0.929816  0.395263  0.450113  1
  H  H123  1  0.863801  1.127875  0.431258  1
  H  H124  1  0.563299  0.428417  0.440715  1
  H  H125  1  0.596483  1.061930  0.450113  1
  H  H126  1  0.229966  1.095084  0.440715  1
  H  H127  1  0.628871  0.696264  0.459587  1
  H  H128  1  0.360624  0.631311  0.478523  1
  H  H129  1  0.295538  0.362931  0.459587  1
  H  H130  1  0.996300  0.662177  0.468881  1
  H  H131  1  1.027291  0.297977  0.478523  1
  H  H132  1  0.962204  1.029597  0.459587  1
  H  H133  1  0.662967  0.328844  0.468881  1
  H  H134  1  0.693957  0.964644  0.478523  1
  H  H135  1  0.329633  0.995510  0.468881  1
  H  H136  1  0.728372  0.596773  0.487391  1
  H  H137  1  0.469974  0.521444  0.507061  1
  H  H138  1  0.395038  0.263440  0.487391  1
  H  H139  1  1.092532  0.566215  0.497931  1
  H  H140  1  1.136641  0.188111  0.507061  1
  H  H141  1  1.061705  0.930106  0.487391  1
  H  H142  1  0.759198  0.232882  0.497931  1
  H  H143  1  0.803308  0.854777  0.507061  1
  H  H144  1  0.425865  0.899548  0.497931  1
