# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   15.09094761
_cell_length_c   49.60004297
_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   H84
_cell_volume   3335.95773972
_cell_formula_units_Z   42
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  0.500000  0.026210  0.305894  1
  H  H2  1  0.500000  0.657039  0.285061  1
  H  H3  1  0.500000  0.395382  0.326728  1
  H  H4  1  0.000000  0.233522  0.329522  1
  H  H5  1  0.000000  0.864351  0.308689  1
  H  H6  1  0.000000  0.495179  0.287856  1
  H  H7  1  0.000000  0.210796  0.316311  1
  H  H8  1  0.000000  0.841624  0.295478  1
  H  H9  1  0.000000  0.579968  0.337144  1
  H  H10  1  0.500000  0.048936  0.319106  1
  H  H11  1  0.500000  0.679765  0.298272  1
  H  H12  1  0.500000  0.418108  0.339939  1
  H  H13  1  0.500000  0.133725  0.368394  1
  H  H14  1  0.500000  0.764553  0.347561  1
  H  H15  1  0.500000  0.502896  0.389228  1
  H  H16  1  0.000000  0.341037  0.392022  1
  H  H17  1  0.000000  0.971865  0.371189  1
  H  H18  1  0.000000  0.602694  0.350356  1
  H  H19  1  0.000000  0.318311  0.378811  1
  H  H20  1  0.000000  0.949139  0.357978  1
  H  H21  1  0.000000  0.687482  0.399644  1
  H  H22  1  0.500000  0.156451  0.381606  1
  H  H23  1  0.500000  0.787279  0.360772  1
  H  H24  1  0.500000  0.525623  0.402439  1
  H  H25  1  0.500000  0.241240  0.430894  1
  H  H26  1  0.500000  0.872068  0.410061  1
  H  H27  1  0.500000  0.610411  0.451728  1
  H  H28  1  0.000000  0.448551  0.454522  1
  H  H29  1  0.000000  0.079380  0.433689  1
  H  H30  1  0.000000  0.710208  0.412856  1
  H  H31  1  0.000000  0.425825  0.441311  1
  H  H32  1  0.000000  0.056654  0.420478  1
  H  H33  1  0.000000  0.794997  0.462144  1
  H  H34  1  0.500000  0.263966  0.444106  1
  H  H35  1  0.500000  0.894794  0.423272  1
  H  H36  1  0.500000  0.633137  0.464939  1
  H  H37  1  0.500000  0.348754  0.493394  1
  H  H38  1  0.500000  0.979583  0.472561  1
  H  H39  1  0.500000  0.717926  0.514228  1
  H  H40  1  0.000000  0.556066  0.517022  1
  H  H41  1  0.000000  0.186895  0.496189  1
  H  H42  1  0.000000  0.817723  0.475356  1
  H  H43  1  0.000000  0.533340  0.503811  1
  H  H44  1  0.000000  0.164168  0.482978  1
  H  H45  1  0.000000  0.902512  0.524644  1
  H  H46  1  0.500000  0.371480  0.506606  1
  H  H47  1  0.500000  0.002309  0.485772  1
  H  H48  1  0.500000  0.740652  0.527439  1
  H  H49  1  0.500000  0.456269  0.555894  1
  H  H50  1  0.500000  0.087097  0.535061  1
  H  H51  1  0.500000  0.825440  0.576728  1
  H  H52  1  0.000000  0.663581  0.579522  1
  H  H53  1  0.000000  0.294409  0.558689  1
  H  H54  1  0.000000  0.925238  0.537856  1
  H  H55  1  0.000000  0.640855  0.566311  1
  H  H56  1  0.000000  0.271683  0.545478  1
  H  H57  1  0.000000  0.010026  0.587144  1
  H  H58  1  0.500000  0.478995  0.569106  1
  H  H59  1  0.500000  0.109823  0.548272  1
  H  H60  1  0.500000  0.848167  0.589939  1
  H  H61  1  0.500000  0.563783  0.618394  1
  H  H62  1  0.500000  0.194612  0.597561  1
  H  H63  1  0.500000  0.932955  0.639228  1
  H  H64  1  0.000000  0.771095  0.642022  1
  H  H65  1  0.000000  0.401924  0.621189  1
  H  H66  1  0.000000  0.032752  0.600356  1
  H  H67  1  0.000000  0.748369  0.628811  1
  H  H68  1  0.000000  0.379198  0.607978  1
  H  H69  1  0.000000  0.117541  0.649644  1
  H  H70  1  0.500000  0.586510  0.631606  1
  H  H71  1  0.500000  0.217338  0.610772  1
  H  H72  1  0.500000  0.955681  0.652439  1
  H  H73  1  0.500000  0.671298  0.680894  1
  H  H74  1  0.500000  0.302127  0.660061  1
  H  H75  1  0.500000  0.040470  0.701728  1
  H  H76  1  0.000000  0.878610  0.704522  1
  H  H77  1  0.000000  0.509439  0.683689  1
  H  H78  1  0.000000  0.140267  0.662856  1
  H  H79  1  0.000000  0.855884  0.691311  1
  H  H80  1  0.000000  0.486712  0.670478  1
  H  H81  1  0.000000  0.225055  0.712144  1
  H  H82  1  0.500000  0.694024  0.694106  1
  H  H83  1  0.500000  0.324853  0.673272  1
  H  H84  1  0.500000  0.063196  0.714939  1
