# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14988889
_cell_length_b   11.11215290
_cell_length_c   45.01481831
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.39854932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   2505.91872686
_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  0.655950  0.311901  0.312858  1
  H  H2  1  0.813160  0.626320  0.331376  1
  H  H3  1  0.498741  0.997482  0.294339  1
  H  H4  1  0.531966  0.063932  0.298253  1
  H  H5  1  0.689175  0.378351  0.316772  1
  H  H6  1  0.374756  0.749512  0.279735  1
  H  H7  1  0.077346  0.154691  0.303599  1
  H  H8  1  0.234555  0.469110  0.322117  1
  H  H9  1  0.920136  0.840272  0.285080  1
  H  H10  1  0.110571  0.221141  0.307512  1
  H  H11  1  0.267780  0.535560  0.326031  1
  H  H12  1  0.953361  0.906722  0.288994  1
  H  H13  1  0.127579  0.255158  0.368413  1
  H  H14  1  0.284789  0.569577  0.386932  1
  H  H15  1  0.970370  0.940739  0.349895  1
  H  H16  1  0.003595  0.007189  0.353809  1
  H  H17  1  0.160804  0.321608  0.372327  1
  H  H18  1  0.846385  0.692770  0.335290  1
  H  H19  1  0.548974  0.097949  0.359154  1
  H  H20  1  0.706184  0.412368  0.377673  1
  H  H21  1  0.391765  0.783530  0.340636  1
  H  H22  1  0.582199  0.164399  0.363068  1
  H  H23  1  0.739409  0.478818  0.381587  1
  H  H24  1  0.424990  0.849980  0.344549  1
  H  H25  1  0.599208  0.198416  0.423969  1
  H  H26  1  0.756417  0.512835  0.442488  1
  H  H27  1  0.441998  0.883997  0.405451  1
  H  H28  1  0.475223  0.950447  0.409364  1
  H  H29  1  0.632433  0.264866  0.427883  1
  H  H30  1  0.318014  0.636027  0.390846  1
  H  H31  1  0.020603  0.041206  0.414710  1
  H  H32  1  0.177813  0.355625  0.433228  1
  H  H33  1  0.863394  0.726787  0.396191  1
  H  H34  1  0.053828  0.107656  0.418624  1
  H  H35  1  0.211038  0.422075  0.437142  1
  H  H36  1  0.896619  0.793237  0.400105  1
  H  H37  1  0.070837  0.141673  0.479525  1
  H  H38  1  0.228046  0.456092  0.498043  1
  H  H39  1  0.913627  0.827254  0.461006  1
  H  H40  1  0.946852  0.893704  0.464920  1
  H  H41  1  0.104062  0.208123  0.483438  1
  H  H42  1  0.789642  0.579285  0.446401  1
  H  H43  1  0.492232  0.984464  0.470265  1
  H  H44  1  0.649441  0.298883  0.488784  1
  H  H45  1  0.335022  0.670045  0.451747  1
  H  H46  1  0.525457  0.050914  0.474179  1
  H  H47  1  0.682666  0.365333  0.492698  1
  H  H48  1  0.368247  0.736495  0.455661  1
  H  H49  1  0.542465  0.084931  0.535080  1
  H  H50  1  0.699675  0.399350  0.553599  1
  H  H51  1  0.385256  0.770512  0.516562  1
  H  H52  1  0.418481  0.836962  0.520475  1
  H  H53  1  0.575690  0.151381  0.538994  1
  H  H54  1  0.261271  0.522542  0.501957  1
  H  H55  1  0.963861  0.927721  0.525821  1
  H  H56  1  0.121070  0.242140  0.544339  1
  H  H57  1  0.806651  0.613302  0.507302  1
  H  H58  1  0.997086  0.994171  0.529735  1
  H  H59  1  0.154295  0.308590  0.548253  1
  H  H60  1  0.839876  0.679752  0.511216  1
  H  H61  1  0.014094  0.028188  0.590636  1
  H  H62  1  0.171304  0.342607  0.609154  1
  H  H63  1  0.856885  0.713769  0.572117  1
  H  H64  1  0.890110  0.780219  0.576031  1
  H  H65  1  0.047319  0.094638  0.594549  1
  H  H66  1  0.732900  0.465800  0.557512  1
  H  H67  1  0.435489  0.870979  0.581376  1
  H  H68  1  0.592699  0.185398  0.599895  1
  H  H69  1  0.278280  0.556560  0.562858  1
  H  H70  1  0.468714  0.937429  0.585290  1
  H  H71  1  0.625924  0.251848  0.603809  1
  H  H72  1  0.311505  0.623010  0.566772  1
  H  H73  1  0.485723  0.971446  0.646191  1
  H  H74  1  0.642932  0.285865  0.664710  1
  H  H75  1  0.328513  0.657027  0.627673  1
  H  H76  1  0.361738  0.723477  0.631587  1
  H  H77  1  0.518948  0.037896  0.650105  1
  H  H78  1  0.204529  0.409057  0.613068  1
  H  H79  1  0.907118  0.814236  0.636932  1
  H  H80  1  0.064328  0.128655  0.655451  1
  H  H81  1  0.749909  0.499817  0.618413  1
  H  H82  1  0.940343  0.880686  0.640846  1
  H  H83  1  0.097553  0.195105  0.659364  1
  H  H84  1  0.783134  0.566267  0.622327  1
  H  H85  1  0.957352  0.914703  0.701747  1
  H  H86  1  0.114561  0.229122  0.720265  1
  H  H87  1  0.800142  0.600284  0.683228  1
  H  H88  1  0.833367  0.666734  0.687142  1
  H  H89  1  0.990577  0.981153  0.705661  1
  H  H90  1  0.676157  0.352315  0.668624  1
  H  H91  1  0.378747  0.757494  0.692488  1
  H  H92  1  0.535956  0.071913  0.711006  1
  H  H93  1  0.221537  0.443075  0.673969  1
  H  H94  1  0.411972  0.823944  0.696401  1
  H  H95  1  0.569181  0.138363  0.714920  1
  H  H96  1  0.254762  0.509525  0.677883  1
