# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26393207
_cell_length_b   13.23315136
_cell_length_c   58.11746912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   1741.13868197
_cell_formula_units_Z   48
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  1.019842  0.717126  0.261648  1
  H  H2  1  1.019842  0.973201  0.220058  1
  H  H3  1  1.019842  0.461039  0.302917  1
  H  H4  1  0.519842  0.684680  0.226847  1
  H  H5  1  0.519842  0.172140  0.309122  1
  H  H6  1  0.519842  0.428127  0.268026  1
  H  H7  1  1.019842  0.547698  0.208201  1
  H  H8  1  1.019842  1.037123  0.290225  1
  H  H9  1  1.019842  0.292794  0.249139  1
  H  H10  1  0.519842  0.748574  0.296554  1
  H  H11  1  0.519842  1.004254  0.255180  1
  H  H12  1  0.519842  0.260397  0.214050  1
  H  H13  1  0.519842  0.589084  0.282280  1
  H  H14  1  0.519842  0.844866  0.240970  1
  H  H15  1  0.519842  1.102048  0.199341  1
  H  H16  1  1.019842  0.556361  0.247386  1
  H  H17  1  1.019842  0.814487  0.205412  1
  H  H18  1  1.019842  0.300085  0.288539  1
  H  H19  1  0.519842  0.420643  0.228920  1
  H  H20  1  0.519842  0.673930  0.187414  1
  H  H21  1  0.519842  0.164999  0.269719  1
  H  H22  1  1.019842  0.388350  0.193177  1
  H  H23  1  1.019842  0.876558  0.275864  1
  H  H24  1  1.019842  1.132427  0.234963  1
  H  H25  1  1.019842  0.949093  0.385309  1
  H  H26  1  1.019842  0.205023  0.344090  1
  H  H27  1  1.019842  0.693125  0.426554  1
  H  H28  1  0.519842  0.916315  0.350324  1
  H  H29  1  0.519842  0.404361  0.432813  1
  H  H30  1  0.519842  0.660344  0.391580  1
  H  H31  1  1.019842  0.781296  0.331533  1
  H  H32  1  1.019842  0.269280  0.414003  1
  H  H33  1  1.019842  0.525262  0.372784  1
  H  H34  1  0.519842  0.980523  0.420254  1
  H  H35  1  0.519842  0.236470  0.379029  1
  H  H36  1  0.519842  0.492473  0.337824  1
  H  H37  1  0.519842  0.821113  0.405932  1
  H  H38  1  0.519842  1.077058  0.364690  1
  H  H39  1  0.519842  0.333001  0.323493  1
  H  H40  1  1.019842  0.788341  0.370955  1
  H  H41  1  1.019842  1.044234  0.329699  1
  H  H42  1  1.019842  0.532347  0.412199  1
  H  H43  1  0.519842  0.653279  0.352164  1
  H  H44  1  0.519842  0.909267  0.310881  1
  H  H45  1  0.519842  0.397262  0.393393  1
  H  H46  1  1.019842  0.620522  0.317199  1
  H  H47  1  1.019842  1.108498  0.399637  1
  H  H48  1  1.019842  0.364455  0.358423  1
  H  H49  1  1.019842  0.181208  0.509004  1
  H  H50  1  1.019842  0.437166  0.467791  1
  H  H51  1  1.019842  0.925141  0.550229  1
  H  H52  1  0.519842  1.148401  0.474034  1
  H  H53  1  0.519842  0.636396  0.556546  1
  H  H54  1  0.519842  0.892385  0.515264  1
  H  H55  1  1.019842  1.013316  0.455229  1
  H  H56  1  1.019842  0.501429  0.537729  1
  H  H57  1  1.019842  0.757323  0.496473  1
  H  H58  1  0.519842  0.212662  0.543935  1
  H  H59  1  0.519842  0.468606  0.502738  1
  H  H60  1  0.519842  0.724550  0.461495  1
  H  H61  1  0.519842  1.053190  0.529604  1
  H  H62  1  0.519842  0.309193  0.488399  1
  H  H63  1  0.519842  0.565140  0.447174  1
  H  H64  1  1.019842  1.020401  0.494644  1
  H  H65  1  1.019842  0.276383  0.453424  1
  H  H66  1  1.019842  0.764367  0.535895  1
  H  H67  1  0.519842  0.885319  0.475848  1
  H  H68  1  0.519842  1.141302  0.434614  1
  H  H69  1  0.519842  0.629348  0.517103  1
  H  H70  1  1.019842  0.852538  0.440874  1
  H  H71  1  1.019842  0.340640  0.523337  1
  H  H72  1  1.019842  0.596570  0.482118  1
  H  H73  1  1.019842  0.413236  0.632465  1
  H  H74  1  1.019842  0.669105  0.591564  1
  H  H75  1  1.019842  1.157313  0.674251  1
  H  H76  1  0.519842  0.380665  0.597708  1
  H  H77  1  0.519842  0.871734  0.680013  1
  H  H78  1  0.519842  1.125020  0.638507  1
  H  H79  1  1.019842  0.245578  0.578889  1
  H  H80  1  1.019842  0.731177  0.662016  1
  H  H81  1  1.019842  0.989302  0.620042  1
  H  H82  1  0.519842  0.443615  0.668086  1
  H  H83  1  0.519842  0.700797  0.626458  1
  H  H84  1  0.519842  0.956580  0.585148  1
  H  H85  1  0.519842  0.285266  0.653377  1
  H  H86  1  0.519842  0.541409  0.612248  1
  H  H87  1  0.519842  0.797089  0.570874  1
  H  H88  1  1.019842  0.252869  0.618289  1
  H  H89  1  1.019842  0.508540  0.577203  1
  H  H90  1  1.019842  0.997966  0.659227  1
  H  H91  1  0.519842  1.117536  0.599402  1
  H  H92  1  0.519842  0.373523  0.558305  1
  H  H93  1  0.519842  0.860983  0.640580  1
  H  H94  1  1.019842  1.084625  0.564511  1
  H  H95  1  1.019842  0.572462  0.647370  1
  H  H96  1  1.019842  0.828537  0.605780  1
