# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62923323
_cell_length_b   8.78374075
_cell_length_c   62.36446113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.33350637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   2372.68146279
_cell_formula_units_Z   56
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  0.378638  0.238366  0.174548  1
  H  H2  1  0.878638  0.238366  0.174548  1
  H  H3  1  0.503638  0.488366  0.174548  1
  H  H4  1  1.003638  0.488366  0.174548  1
  H  H5  1  0.628638  0.738366  0.174548  1
  H  H6  1  1.128638  0.738366  0.174548  1
  H  H7  1  0.753638  0.988366  0.174548  1
  H  H8  1  0.253638  0.988366  0.174548  1
  H  H9  1  0.197248  0.157439  0.205261  1
  H  H10  1  0.697248  0.157439  0.205261  1
  H  H11  1  0.322248  0.407439  0.205261  1
  H  H12  1  0.822248  0.407439  0.205261  1
  H  H13  1  0.447248  0.657439  0.205261  1
  H  H14  1  0.947248  0.657439  0.205261  1
  H  H15  1  0.572248  0.907439  0.205261  1
  H  H16  1  1.072248  0.907439  0.205261  1
  H  H17  1  1.011163  0.082951  0.235558  1
  H  H18  1  0.511163  0.082951  0.235558  1
  H  H19  1  1.136163  0.332951  0.235558  1
  H  H20  1  0.636163  0.332951  0.235558  1
  H  H21  1  0.261163  0.582951  0.235558  1
  H  H22  1  0.761163  0.582951  0.235558  1
  H  H23  1  0.386163  0.832951  0.235558  1
  H  H24  1  0.886163  0.832951  0.235558  1
  H  H25  1  0.826686  0.007052  0.265948  1
  H  H26  1  0.326686  0.007052  0.265948  1
  H  H27  1  0.951686  0.257052  0.265948  1
  H  H28  1  0.451686  0.257052  0.265948  1
  H  H29  1  1.076686  0.507052  0.265948  1
  H  H30  1  0.576686  0.507052  0.265948  1
  H  H31  1  0.201686  0.757052  0.265948  1
  H  H32  1  0.701686  0.757052  0.265948  1
  H  H33  1  0.641833  0.931459  0.296349  1
  H  H34  1  1.141833  0.931459  0.296349  1
  H  H35  1  0.766833  0.181459  0.296349  1
  H  H36  1  0.266833  0.181459  0.296349  1
  H  H37  1  0.891833  0.431459  0.296349  1
  H  H38  1  0.391833  0.431459  0.296349  1
  H  H39  1  1.016833  0.681459  0.296349  1
  H  H40  1  0.516833  0.681459  0.296349  1
  H  H41  1  0.457112  0.855764  0.326749  1
  H  H42  1  0.957112  0.855764  0.326749  1
  H  H43  1  0.582112  0.105764  0.326749  1
  H  H44  1  1.082112  0.105764  0.326749  1
  H  H45  1  0.707112  0.355764  0.326749  1
  H  H46  1  0.207112  0.355764  0.326749  1
  H  H47  1  0.832112  0.605764  0.326749  1
  H  H48  1  0.332112  0.605764  0.326749  1
  H  H49  1  0.272346  0.780104  0.357148  1
  H  H50  1  0.772346  0.780104  0.357148  1
  H  H51  1  0.397346  0.030104  0.357148  1
  H  H52  1  0.897346  0.030104  0.357148  1
  H  H53  1  0.522346  0.280104  0.357148  1
  H  H54  1  1.022346  0.280104  0.357148  1
  H  H55  1  0.647346  0.530104  0.357148  1
  H  H56  1  1.147346  0.530104  0.357148  1
  H  H57  1  1.087598  0.704431  0.387548  1
  H  H58  1  0.587598  0.704431  0.387548  1
  H  H59  1  0.212598  0.954431  0.387548  1
  H  H60  1  0.712598  0.954431  0.387548  1
  H  H61  1  0.337598  0.204431  0.387548  1
  H  H62  1  0.837598  0.204431  0.387548  1
  H  H63  1  0.462598  0.454431  0.387548  1
  H  H64  1  0.962598  0.454431  0.387548  1
  H  H65  1  0.902833  0.628770  0.417948  1
  H  H66  1  0.402833  0.628770  0.417948  1
  H  H67  1  1.027833  0.878770  0.417948  1
  H  H68  1  0.527833  0.878770  0.417948  1
  H  H69  1  1.152833  0.128770  0.417948  1
  H  H70  1  0.652833  0.128770  0.417948  1
  H  H71  1  0.277833  0.378770  0.417948  1
  H  H72  1  0.777833  0.378770  0.417948  1
  H  H73  1  0.718111  0.553076  0.448347  1
  H  H74  1  0.218111  0.553076  0.448347  1
  H  H75  1  0.843111  0.803076  0.448347  1
  H  H76  1  0.343111  0.803076  0.448347  1
  H  H77  1  0.968111  0.053076  0.448347  1
  H  H78  1  0.468111  0.053076  0.448347  1
  H  H79  1  1.093111  0.303076  0.448347  1
  H  H80  1  0.593111  0.303076  0.448347  1
  H  H81  1  0.533258  0.477483  0.478748  1
  H  H82  1  1.033258  0.477483  0.478748  1
  H  H83  1  0.658258  0.727483  0.478748  1
  H  H84  1  1.158258  0.727483  0.478748  1
  H  H85  1  0.783258  0.977483  0.478748  1
  H  H86  1  0.283258  0.977483  0.478748  1
  H  H87  1  0.908258  0.227483  0.478748  1
  H  H88  1  0.408258  0.227483  0.478748  1
  H  H89  1  0.348781  0.401583  0.509138  1
  H  H90  1  0.848781  0.401583  0.509138  1
  H  H91  1  0.473781  0.651583  0.509138  1
  H  H92  1  0.973781  0.651583  0.509138  1
  H  H93  1  0.598781  0.901583  0.509138  1
  H  H94  1  1.098781  0.901583  0.509138  1
  H  H95  1  0.723781  0.151583  0.509138  1
  H  H96  1  0.223781  0.151583  0.509138  1
  H  H97  1  1.162697  0.327096  0.539436  1
  H  H98  1  0.662697  0.327096  0.539436  1
  H  H99  1  0.287697  0.577096  0.539436  1
  H  H100  1  0.787697  0.577096  0.539436  1
  H  H101  1  0.412697  0.827096  0.539436  1
  H  H102  1  0.912697  0.827096  0.539436  1
  H  H103  1  0.537697  0.077096  0.539436  1
  H  H104  1  1.037697  0.077096  0.539436  1
  H  H105  1  0.981306  0.246168  0.570149  1
  H  H106  1  0.481306  0.246168  0.570149  1
  H  H107  1  1.106306  0.496168  0.570149  1
  H  H108  1  0.606306  0.496168  0.570149  1
  H  H109  1  0.231306  0.746168  0.570149  1
  H  H110  1  0.731306  0.746168  0.570149  1
  H  H111  1  0.356306  0.996168  0.570149  1
  H  H112  1  0.856306  0.996168  0.570149  1
