# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.05302389
_cell_length_b   6.08139984
_cell_length_c   48.13126281
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.61811354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   3684.99585382
_cell_formula_units_Z   54
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  0.391194  0.265580  0.294216  1
  H  H2  1  0.677458  0.177011  0.310882  1
  H  H3  1  0.104931  0.354150  0.277549  1
  H  H4  1  0.319308  0.839389  0.280327  1
  H  H5  1  0.605572  0.750818  0.296994  1
  H  H6  1  0.891835  0.662249  0.313660  1
  H  H7  1  0.200469  0.457352  0.322406  1
  H  H8  1  0.627942  0.634491  0.289072  1
  H  H9  1  0.914206  0.545922  0.305739  1
  H  H10  1  0.413565  0.149253  0.286295  1
  H  H11  1  0.699828  0.060683  0.302961  1
  H  H12  1  0.986092  0.972114  0.319628  1
  H  H13  1  0.249984  0.999872  0.344216  1
  H  H14  1  0.536248  0.911302  0.360882  1
  H  H15  1  0.963721  0.088441  0.327549  1
  H  H16  1  0.178098  0.573680  0.330327  1
  H  H17  1  0.464362  0.485110  0.346994  1
  H  H18  1  0.750625  0.396541  0.363660  1
  H  H19  1  0.059259  0.191644  0.372406  1
  H  H20  1  0.486732  0.368783  0.339072  1
  H  H21  1  0.772996  0.280213  0.355739  1
  H  H22  1  0.272355  0.883544  0.336295  1
  H  H23  1  0.558618  0.794975  0.352961  1
  H  H24  1  0.844882  0.706405  0.369628  1
  H  H25  1  0.108774  0.734163  0.394216  1
  H  H26  1  0.395038  0.645594  0.410882  1
  H  H27  1  0.822511  0.822733  0.377549  1
  H  H28  1  0.036888  0.307971  0.380327  1
  H  H29  1  0.323152  0.219402  0.396994  1
  H  H30  1  0.609415  0.130832  0.413660  1
  H  H31  1  0.918049  0.925935  0.422406  1
  H  H32  1  0.345522  0.103074  0.389072  1
  H  H33  1  0.631786  0.014505  0.405739  1
  H  H34  1  0.131145  0.617836  0.386295  1
  H  H35  1  0.417409  0.529266  0.402961  1
  H  H36  1  0.703672  0.440697  0.419628  1
  H  H37  1  0.967565  0.468455  0.444216  1
  H  H38  1  0.253828  0.379886  0.460882  1
  H  H39  1  0.681301  0.557025  0.427549  1
  H  H40  1  0.895678  0.042263  0.430327  1
  H  H41  1  0.181942  0.953693  0.446994  1
  H  H42  1  0.468205  0.865124  0.463660  1
  H  H43  1  0.776839  0.660227  0.472406  1
  H  H44  1  0.204312  0.837366  0.439072  1
  H  H45  1  0.490576  0.748797  0.455739  1
  H  H46  1  0.989935  0.352128  0.436295  1
  H  H47  1  0.276199  0.263558  0.452961  1
  H  H48  1  0.562462  0.174989  0.469628  1
  H  H49  1  0.826355  0.202747  0.494216  1
  H  H50  1  0.112618  0.114177  0.510882  1
  H  H51  1  0.540091  0.291316  0.477549  1
  H  H52  1  0.754468  0.776555  0.480327  1
  H  H53  1  0.040732  0.687985  0.496994  1
  H  H54  1  0.326995  0.599416  0.513660  1
  H  H55  1  0.635629  0.394519  0.522406  1
  H  H56  1  0.063103  0.571658  0.489072  1
  H  H57  1  0.349366  0.483088  0.505739  1
  H  H58  1  0.848725  0.086419  0.486295  1
  H  H59  1  0.134989  0.997850  0.502961  1
  H  H60  1  0.421252  0.909280  0.519628  1
  H  H61  1  0.685145  0.937038  0.544216  1
  H  H62  1  0.971408  0.848469  0.560882  1
  H  H63  1  0.398881  0.025608  0.527549  1
  H  H64  1  0.613259  0.510846  0.530327  1
  H  H65  1  0.899522  0.422277  0.546994  1
  H  H66  1  0.185785  0.333707  0.563660  1
  H  H67  1  0.494419  0.128810  0.572406  1
  H  H68  1  0.921893  0.305949  0.539072  1
  H  H69  1  0.208156  0.217380  0.555739  1
  H  H70  1  0.707515  0.820711  0.536295  1
  H  H71  1  0.993779  0.732141  0.552961  1
  H  H72  1  0.280042  0.643572  0.569628  1
  H  H73  1  0.543935  0.671330  0.594216  1
  H  H74  1  0.830198  0.582761  0.610882  1
  H  H75  1  0.257671  0.759899  0.577549  1
  H  H76  1  0.472049  0.245138  0.580327  1
  H  H77  1  0.758312  0.156568  0.596994  1
  H  H78  1  0.044575  0.067999  0.613660  1
  H  H79  1  0.353209  0.863102  0.622406  1
  H  H80  1  0.780683  0.040241  0.589072  1
  H  H81  1  0.066946  0.951672  0.605739  1
  H  H82  1  0.566305  0.555003  0.586295  1
  H  H83  1  0.852569  0.466433  0.602961  1
  H  H84  1  0.138832  0.377864  0.619628  1
  H  H85  1  0.402725  0.405622  0.644216  1
  H  H86  1  0.688988  0.317052  0.660882  1
  H  H87  1  0.116461  0.494191  0.627549  1
  H  H88  1  0.330839  0.979430  0.630327  1
  H  H89  1  0.617102  0.890860  0.646994  1
  H  H90  1  0.903365  0.802291  0.663660  1
  H  H91  1  0.211999  0.597394  0.672406  1
  H  H92  1  0.639473  0.774533  0.639072  1
  H  H93  1  0.925736  0.685963  0.655739  1
  H  H94  1  0.425095  0.289294  0.636295  1
  H  H95  1  0.711359  0.200725  0.652961  1
  H  H96  1  0.997622  0.112155  0.669628  1
  H  H97  1  0.261515  0.139913  0.694216  1
  H  H98  1  0.547778  0.051344  0.710882  1
  H  H99  1  0.975252  0.228483  0.677549  1
  H  H100  1  0.189629  0.713721  0.680327  1
  H  H101  1  0.475892  0.625152  0.696994  1
  H  H102  1  0.762155  0.536582  0.713660  1
  H  H103  1  0.070790  0.331685  0.722406  1
  H  H104  1  0.498263  0.508824  0.689072  1
  H  H105  1  0.784526  0.420255  0.705739  1
  H  H106  1  0.283886  0.023586  0.686295  1
  H  H107  1  0.570149  0.935016  0.702961  1
  H  H108  1  0.856412  0.846446  0.719628  1
