# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28200254
_cell_length_b   16.07883150
_cell_length_c   49.39980141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.73277606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1808.72896088
_cell_formula_units_Z   44
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  0.852730  0.696196  0.273664  1
  H  H2  1  0.589807  0.175129  0.295312  1
  H  H3  1  0.719330  0.433827  0.283262  1
  H  H4  1  0.983497  0.957626  0.263774  1
  H  H5  1  0.617909  0.233918  0.253570  1
  H  H6  1  0.418315  0.826847  0.268700  1
  H  H7  1  0.286581  0.565391  0.278633  1
  H  H8  1  0.548408  0.089374  0.259007  1
  H  H9  1  0.332364  0.657025  0.314011  1
  H  H10  1  0.070954  0.137431  0.334711  1
  H  H11  1  0.201286  0.397476  0.324093  1
  H  H12  1  0.462517  0.917180  0.304206  1
  H  H13  1  0.153536  0.304615  0.289195  1
  H  H14  1  0.897586  0.787187  0.309092  1
  H  H15  1  0.766495  0.526789  0.318893  1
  H  H16  1  0.027126  0.046725  0.299435  1
  H  H17  1  0.811317  0.618186  0.353852  1
  H  H18  1  0.551122  0.098963  0.374441  1
  H  H19  1  0.681341  0.359205  0.364247  1
  H  H20  1  0.941712  0.878061  0.344061  1
  H  H21  1  0.636108  0.267895  0.329538  1
  H  H22  1  0.376627  0.748127  0.348943  1
  H  H23  1  0.246172  0.488705  0.358971  1
  H  H24  1  0.506541  1.007863  0.339250  1
  H  H25  1  0.291133  0.579940  0.394009  1
  H  H26  1  0.030992  0.060429  0.414305  1
  H  H27  1  0.161177  0.320511  0.404318  1
  H  H28  1  0.421297  0.839351  0.384053  1
  H  H29  1  0.116188  0.229148  0.369447  1
  H  H30  1  0.856179  0.709539  0.388967  1
  H  H31  1  0.726184  0.450359  0.399168  1
  H  H32  1  0.986271  0.969175  0.379197  1
  H  H33  1  0.770963  0.541418  0.434163  1
  H  H34  1  0.510794  1.021909  0.454219  1
  H  H35  1  0.640993  0.281817  0.444335  1
  H  H36  1  0.900916  0.800748  0.424064  1
  H  H37  1  0.596078  0.190460  0.409373  1
  H  H38  1  0.335905  0.671056  0.429069  1
  H  H39  1  0.206012  0.411682  0.439275  1
  H  H40  1  0.465968  0.930566  0.419153  1
  H  H41  1  0.250776  0.502773  0.474279  1
  H  H42  1  0.990582  0.983379  0.494152  1
  H  H43  1  0.120778  0.243233  0.484332  1
  H  H44  1  0.380675  0.762204  0.464115  1
  H  H45  1  0.075905  0.151869  0.449308  1
  H  H46  1  0.815712  0.632475  0.469181  1
  H  H47  1  0.685812  0.373044  0.479345  1
  H  H48  1  0.945710  0.892015  0.459127  1
  H  H49  1  0.730582  0.464192  0.514390  1
  H  H50  1  0.470409  0.944789  0.534087  1
  H  H51  1  0.600519  0.204682  0.524306  1
  H  H52  1  0.860475  0.723566  0.504185  1
  H  H53  1  0.555694  0.113339  0.489241  1
  H  H54  1  0.295525  0.593830  0.509297  1
  H  H55  1  0.165572  0.334500  0.519396  1
  H  H56  1  0.425495  0.853432  0.499125  1
  H  H57  1  0.210308  0.425709  0.554493  1
  H  H58  1  0.950299  0.906101  0.574012  1
  H  H59  1  0.080216  0.166073  0.564263  1
  H  H60  1  0.340303  0.684889  0.544292  1
  H  H61  1  0.035495  0.074820  0.529154  1
  H  H62  1  0.775355  0.555308  0.549450  1
  H  H63  1  0.645190  0.295897  0.559407  1
  H  H64  1  0.905310  0.814737  0.539141  1
  H  H65  1  0.689860  0.387122  0.594517  1
  H  H66  1  0.430379  0.867353  0.613922  1
  H  H67  1  0.559946  0.127385  0.604210  1
  H  H68  1  0.820316  0.646544  0.584489  1
  H  H69  1  0.515365  1.036285  0.569018  1
  H  H70  1  0.255171  0.517062  0.589607  1
  H  H71  1  0.124775  0.257187  0.599398  1
  H  H72  1  0.385147  0.776043  0.579213  1
  H  H73  1  0.168901  0.348062  0.634368  1
  H  H74  1  0.912951  0.830633  0.654264  1
  H  H75  1  0.039362  0.088523  0.644024  1
  H  H76  1  0.299993  0.608459  0.624567  1
  H  H77  1  0.995533  0.997817  0.608748  1
  H  H78  1  0.734123  0.478223  0.629448  1
  H  H79  1  0.603971  0.218068  0.639254  1
  H  H80  1  0.865202  0.737772  0.619366  1
  H  H81  1  0.648173  0.308402  0.674760  1
  H  H82  1  0.448578  0.901330  0.689889  1
  H  H83  1  0.518079  1.045874  0.684452  1
  H  H84  1  0.779906  0.569857  0.664827  1
  H  H85  1  0.476680  0.960119  0.648148  1
  H  H86  1  0.213757  0.439052  0.669796  1
  H  H87  1  0.082990  0.177622  0.679685  1
  H  H88  1  0.347158  0.701421  0.660198  1
