# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844553
_cell_length_b   17.56508936
_cell_length_c   49.00669465
_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   H120
_cell_volume   3312.76874048
_cell_formula_units_Z   60
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  0.571763  0.738535  0.301406  1
  H  H2  1  0.571763  0.124572  0.329184  1
  H  H3  1  0.571763  0.510609  0.356962  1
  H  H4  1  0.928237  0.817591  0.343073  1
  H  H5  1  0.928237  0.203628  0.370851  1
  H  H6  1  0.928237  0.431554  0.315295  1
  H  H7  1  0.071763  0.833337  0.351372  1
  H  H8  1  0.071763  0.061262  0.295816  1
  H  H9  1  0.071763  0.447299  0.323594  1
  H  H10  1  0.428237  0.754281  0.309705  1
  H  H11  1  0.428237  0.140318  0.337483  1
  H  H12  1  0.428237  0.526355  0.365261  1
  H  H13  1  0.571763  0.703628  0.370851  1
  H  H14  1  0.571763  0.931554  0.315295  1
  H  H15  1  0.571763  0.317591  0.343073  1
  H  H16  1  0.928237  0.624572  0.329184  1
  H  H17  1  0.928237  0.010609  0.356962  1
  H  H18  1  0.928237  0.238535  0.301406  1
  H  H19  1  0.071763  0.640318  0.337483  1
  H  H20  1  0.071763  0.026355  0.365261  1
  H  H21  1  0.071763  0.254281  0.309705  1
  H  H22  1  0.428237  0.561262  0.295816  1
  H  H23  1  0.428237  0.947299  0.323594  1
  H  H24  1  0.428237  0.333337  0.351372  1
  H  H25  1  0.571763  0.896646  0.384739  1
  H  H26  1  0.571763  0.282683  0.412517  1
  H  H27  1  0.571763  0.668720  0.440295  1
  H  H28  1  0.928237  0.975702  0.426406  1
  H  H29  1  0.928237  0.361739  0.454184  1
  H  H30  1  0.928237  0.589665  0.398628  1
  H  H31  1  0.071763  0.991448  0.434705  1
  H  H32  1  0.071763  0.219374  0.379149  1
  H  H33  1  0.071763  0.605411  0.406927  1
  H  H34  1  0.428237  0.912392  0.393038  1
  H  H35  1  0.428237  0.298429  0.420816  1
  H  H36  1  0.428237  0.684466  0.448594  1
  H  H37  1  0.571763  0.861739  0.454184  1
  H  H38  1  0.571763  0.089665  0.398628  1
  H  H39  1  0.571763  0.475702  0.426406  1
  H  H40  1  0.928237  0.782683  0.412517  1
  H  H41  1  0.928237  0.168720  0.440295  1
  H  H42  1  0.928237  0.396646  0.384739  1
  H  H43  1  0.071763  0.798429  0.420816  1
  H  H44  1  0.071763  0.184466  0.448594  1
  H  H45  1  0.071763  0.412392  0.393038  1
  H  H46  1  0.428237  0.719374  0.379149  1
  H  H47  1  0.428237  0.105411  0.406927  1
  H  H48  1  0.428237  0.491448  0.434705  1
  H  H49  1  0.571763  0.054758  0.468073  1
  H  H50  1  0.571763  0.440795  0.495851  1
  H  H51  1  0.571763  0.826832  0.523628  1
  H  H52  1  0.928237  0.133813  0.509739  1
  H  H53  1  0.928237  0.519850  0.537517  1
  H  H54  1  0.928237  0.747776  0.481962  1
  H  H55  1  0.071763  0.149559  0.518038  1
  H  H56  1  0.071763  0.377485  0.462483  1
  H  H57  1  0.071763  0.763522  0.490261  1
  H  H58  1  0.428237  0.070503  0.476372  1
  H  H59  1  0.428237  0.456541  0.504149  1
  H  H60  1  0.428237  0.842578  0.531927  1
  H  H61  1  0.571763  0.019850  0.537517  1
  H  H62  1  0.571763  0.247776  0.481962  1
  H  H63  1  0.571763  0.633813  0.509739  1
  H  H64  1  0.928237  0.940795  0.495851  1
  H  H65  1  0.928237  0.326832  0.523628  1
  H  H66  1  0.928237  0.554758  0.468073  1
  H  H67  1  0.071763  0.956541  0.504149  1
  H  H68  1  0.071763  0.342578  0.531927  1
  H  H69  1  0.071763  0.570503  0.476372  1
  H  H70  1  0.428237  0.877485  0.462483  1
  H  H71  1  0.428237  0.263522  0.490261  1
  H  H72  1  0.428237  0.649559  0.518038  1
  H  H73  1  0.571763  0.212869  0.551406  1
  H  H74  1  0.571763  0.598906  0.579184  1
  H  H75  1  0.571763  0.984943  0.606962  1
  H  H76  1  0.928237  0.291924  0.593073  1
  H  H77  1  0.928237  0.677962  0.620851  1
  H  H78  1  0.928237  0.905887  0.565295  1
  H  H79  1  0.071763  0.307670  0.601372  1
  H  H80  1  0.071763  0.535596  0.545816  1
  H  H81  1  0.071763  0.921633  0.573594  1
  H  H82  1  0.428237  0.228615  0.559705  1
  H  H83  1  0.428237  0.614652  0.587483  1
  H  H84  1  0.428237  0.000689  0.615261  1
  H  H85  1  0.571763  0.177962  0.620851  1
  H  H86  1  0.571763  0.405887  0.565295  1
  H  H87  1  0.571763  0.791924  0.593073  1
  H  H88  1  0.928237  0.098906  0.579184  1
  H  H89  1  0.928237  0.484943  0.606962  1
  H  H90  1  0.928237  0.712869  0.551406  1
  H  H91  1  0.071763  0.114652  0.587483  1
  H  H92  1  0.071763  0.500689  0.615261  1
  H  H93  1  0.071763  0.728615  0.559705  1
  H  H94  1  0.428237  0.035596  0.545816  1
  H  H95  1  0.428237  0.421633  0.573594  1
  H  H96  1  0.428237  0.807670  0.601372  1
  H  H97  1  0.571763  0.370980  0.634739  1
  H  H98  1  0.571763  0.757017  0.662517  1
  H  H99  1  0.571763  0.143054  0.690295  1
  H  H100  1  0.928237  0.450036  0.676406  1
  H  H101  1  0.928237  0.836073  0.704184  1
  H  H102  1  0.928237  0.063999  0.648628  1
  H  H103  1  0.071763  0.465782  0.684705  1
  H  H104  1  0.071763  0.693707  0.629149  1
  H  H105  1  0.071763  0.079745  0.656927  1
  H  H106  1  0.428237  0.386726  0.643038  1
  H  H107  1  0.428237  0.772763  0.670816  1
  H  H108  1  0.428237  0.158800  0.698594  1
  H  H109  1  0.571763  0.336073  0.704184  1
  H  H110  1  0.571763  0.563999  0.648628  1
  H  H111  1  0.571763  0.950036  0.676406  1
  H  H112  1  0.928237  0.257017  0.662517  1
  H  H113  1  0.928237  0.643054  0.690295  1
  H  H114  1  0.928237  0.870980  0.634739  1
  H  H115  1  0.071763  0.272763  0.670816  1
  H  H116  1  0.071763  0.658800  0.698594  1
  H  H117  1  0.071763  0.886726  0.643038  1
  H  H118  1  0.428237  0.193707  0.629149  1
  H  H119  1  0.428237  0.579745  0.656927  1
  H  H120  1  0.428237  0.965782  0.684705  1
