# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15179935
_cell_length_b   6.17908277
_cell_length_c   35.49727104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.26490820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2226.67771605
_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  -0.053381  0.193007  0.456006  1
  H  H2  1  0.446619  0.193007  0.456006  1
  H  H3  1  0.297202  0.921185  0.440436  1
  H  H4  1  -0.133500  0.553165  0.448279  1
  H  H5  1  0.797202  0.921185  0.440436  1
  H  H6  1  0.366500  0.553165  0.448279  1
  H  H7  1  0.159208  1.092730  0.480643  1
  H  H8  1  0.659208  1.092730  0.480643  1
  H  H9  1  0.522858  0.823585  0.462265  1
  H  H10  1  0.096691  0.457807  0.469509  1
  H  H11  1  0.022858  0.823585  0.462265  1
  H  H12  1  0.596691  0.457807  0.469509  1
  H  H13  1  0.372505  0.973706  0.504825  1
  H  H14  1  -0.127495  0.973706  0.504825  1
  H  H15  1  0.728434  0.717441  0.490811  1
  H  H16  1  0.300408  0.344109  0.498040  1
  H  H17  1  0.228434  0.717441  0.490811  1
  H  H18  1  -0.199592  0.344109  0.498040  1
  H  H19  1  0.579126  0.867786  0.528972  1
  H  H20  1  0.079126  0.867786  0.528972  1
  H  H21  1  -0.056397  0.604723  0.511777  1
  H  H22  1  0.510586  0.238174  0.520592  1
  H  H23  1  0.443603  0.604723  0.511777  1
  H  H24  1  0.010586  0.238174  0.520592  1
  H  H25  1  0.792548  0.751703  0.553206  1
  H  H26  1  0.292548  0.751703  0.553206  1
  H  H27  1  0.150259  0.493577  0.537106  1
  H  H28  1  0.721576  1.121725  0.545153  1
  H  H29  1  0.650259  0.493577  0.537106  1
  H  H30  1  0.221576  1.121725  0.545153  1
  H  H31  1  0.001306  0.642429  0.576953  1
  H  H32  1  0.501306  0.642429  0.576953  1
  H  H33  1  0.361424  0.383311  0.561090  1
  H  H34  1  -0.069120  1.013668  0.569103  1
  H  H35  1  -0.138576  0.383311  0.561090  1
  H  H36  1  0.430880  1.013668  0.569103  1
  H  H37  1  0.211481  0.530438  0.601355  1
  H  H38  1  0.711481  0.530438  0.601355  1
  H  H39  1  0.571501  0.271301  0.585151  1
  H  H40  1  0.141655  0.900529  0.593196  1
  H  H41  1  0.071501  0.271301  0.585151  1
  H  H42  1  0.641655  0.900529  0.593196  1
  H  H43  1  0.421852  0.419383  0.625414  1
  H  H44  1  -0.078148  0.419383  0.625414  1
  H  H45  1  0.781507  0.160388  0.609467  1
  H  H46  1  0.351842  0.789702  0.617455  1
  H  H47  1  0.281507  0.160388  0.609467  1
  H  H48  1  -0.148158  0.789702  0.617455  1
  H  H49  1  0.631859  0.307885  0.649645  1
  H  H50  1  0.131859  0.307885  0.649645  1
  H  H51  1  -0.008125  1.048740  0.633467  1
  H  H52  1  0.561845  0.678368  0.641533  1
  H  H53  1  0.491875  1.048740  0.633467  1
  H  H54  1  0.061845  0.678368  0.641533  1
  H  H55  1  -0.157914  0.196345  0.673823  1
  H  H56  1  0.342086  0.196345  0.673823  1
  H  H57  1  0.202103  0.937200  0.657645  1
  H  H58  1  0.772116  0.566717  0.665757  1
  H  H59  1  0.702103  0.937200  0.657645  1
  H  H60  1  0.272116  0.566717  0.665757  1
  H  H61  1  0.052454  1.084697  0.697823  1
  H  H62  1  0.552454  1.084697  0.697823  1
  H  H63  1  0.412109  0.825703  0.681876  1
  H  H64  1  -0.017881  0.455384  0.689835  1
  H  H65  1  -0.087891  0.825703  0.681876  1
  H  H66  1  0.482119  0.455384  0.689835  1
  H  H67  1  0.262460  0.973785  0.722139  1
  H  H68  1  0.762460  0.973785  0.722139  1
  H  H69  1  0.622481  0.714648  0.705935  1
  H  H70  1  0.192307  0.344556  0.714094  1
  H  H71  1  0.122481  0.714648  0.705935  1
  H  H72  1  0.692307  0.344556  0.714094  1
  H  H73  1  0.472537  0.861775  0.746200  1
  H  H74  1  -0.027463  0.861775  0.746200  1
  H  H75  1  -0.167345  0.602656  0.730337  1
  H  H76  1  0.403082  0.231417  0.738187  1
  H  H77  1  0.332655  0.602656  0.730337  1
  H  H78  1  -0.096918  0.231417  0.738187  1
  H  H79  1  0.683703  0.751508  0.770184  1
  H  H80  1  0.183703  0.751508  0.770184  1
  H  H81  1  0.041413  0.493382  0.754084  1
  H  H82  1  0.612385  1.123361  0.762137  1
  H  H83  1  0.541413  0.493382  0.754084  1
  H  H84  1  0.112385  1.123361  0.762137  1
  H  H85  1  -0.109642  0.640363  0.795513  1
  H  H86  1  0.390358  0.640363  0.795513  1
  H  H87  1  0.254836  0.377299  0.778318  1
  H  H88  1  -0.176625  1.006912  0.786698  1
  H  H89  1  0.754836  0.377299  0.778318  1
  H  H90  1  0.323375  1.006912  0.786698  1
  H  H91  1  0.105528  0.527644  0.816479  1
  H  H92  1  0.605528  0.527644  0.816479  1
  H  H93  1  0.461456  0.271380  0.802465  1
  H  H94  1  0.033553  0.900977  0.809250  1
  H  H95  1  -0.038544  0.271380  0.802465  1
  H  H96  1  0.533553  0.900977  0.809250  1
  H  H97  1  0.311104  0.421500  0.845025  1
  H  H98  1  -0.188896  0.421500  0.845025  1
  H  H99  1  0.674754  0.152355  0.826647  1
  H  H100  1  0.237270  0.787278  0.837781  1
  H  H101  1  0.174754  0.152355  0.826647  1
  H  H102  1  0.737270  0.787278  0.837781  1
  H  H103  1  0.536760  0.323901  0.866854  1
  H  H104  1  0.036760  0.323901  0.866854  1
  H  H105  1  -0.112658  1.052079  0.851284  1
  H  H106  1  0.467461  0.691921  0.859011  1
  H  H107  1  0.387342  1.052079  0.851284  1
  H  H108  1  -0.032539  0.691921  0.859011  1
