# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56280736
_cell_length_b   6.64331240
_cell_length_c   44.81375633
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.94076982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1620.27833359
_cell_formula_units_Z   40
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  0.877108  0.075854  0.331637  1
  H  H2  1  0.479922  1.005014  0.353827  1
  H  H3  1  0.377108  0.575854  0.331637  1
  H  H4  1  -0.020078  0.505014  0.353827  1
  H  H5  1  0.729922  0.755014  0.353827  1
  H  H6  1  0.127108  0.825854  0.331637  1
  H  H7  1  0.229922  0.255014  0.353827  1
  H  H8  1  0.627108  0.325854  0.331637  1
  H  H9  1  0.068960  0.958618  0.377511  1
  H  H10  1  0.669192  0.904230  0.398740  1
  H  H11  1  0.568960  0.458618  0.377511  1
  H  H12  1  0.169192  0.404230  0.398740  1
  H  H13  1  0.919192  0.654230  0.398740  1
  H  H14  1  0.318960  0.708618  0.377511  1
  H  H15  1  0.419192  0.154230  0.398740  1
  H  H16  1  0.818960  0.208618  0.377511  1
  H  H17  1  0.266776  0.858468  0.421339  1
  H  H18  1  0.867595  0.807732  0.442753  1
  H  H19  1  0.766776  0.358468  0.421339  1
  H  H20  1  0.367595  0.307732  0.442753  1
  H  H21  1  0.117595  0.557732  0.442753  1
  H  H22  1  0.516776  0.608468  0.421339  1
  H  H23  1  0.617595  0.057732  0.442753  1
  H  H24  1  0.016776  0.108468  0.421339  1
  H  H25  1  0.466255  0.760494  0.465099  1
  H  H26  1  0.066023  0.710524  0.486792  1
  H  H27  1  0.966255  0.260494  0.465099  1
  H  H28  1  0.566023  0.210524  0.486792  1
  H  H29  1  0.316023  0.460524  0.486792  1
  H  H30  1  0.716255  0.510494  0.465099  1
  H  H31  1  0.816023  0.960524  0.486792  1
  H  H32  1  0.216255  1.010494  0.465099  1
  H  H33  1  0.664913  0.662506  0.508982  1
  H  H34  1  0.264544  0.612980  0.530777  1
  H  H35  1  0.164913  0.162506  0.508982  1
  H  H36  1  0.764544  0.112980  0.530777  1
  H  H37  1  0.514544  0.362980  0.530777  1
  H  H38  1  0.914913  0.412506  0.508982  1
  H  H39  1  0.014544  0.862980  0.530777  1
  H  H40  1  0.414913  0.912506  0.508982  1
  H  H41  1  0.863589  0.564795  0.552912  1
  H  H42  1  0.463220  0.515270  0.574707  1
  H  H43  1  0.363589  0.064795  0.552912  1
  H  H44  1  0.963220  1.015270  0.574707  1
  H  H45  1  0.713220  0.265270  0.574707  1
  H  H46  1  0.113589  0.314795  0.552912  1
  H  H47  1  0.213220  0.765270  0.574707  1
  H  H48  1  0.613589  0.814795  0.552912  1
  H  H49  1  0.062110  0.467251  0.596896  1
  H  H50  1  0.661878  0.417282  0.618590  1
  H  H51  1  0.562110  0.967251  0.596896  1
  H  H52  1  0.161878  0.917282  0.618590  1
  H  H53  1  0.911878  0.167282  0.618590  1
  H  H54  1  0.312110  0.217251  0.596896  1
  H  H55  1  0.411878  0.667282  0.618590  1
  H  H56  1  0.812110  0.717251  0.596896  1
  H  H57  1  0.260538  0.370044  0.640935  1
  H  H58  1  0.861357  0.319308  0.662349  1
  H  H59  1  0.760538  0.870044  0.640935  1
  H  H60  1  0.361357  0.819308  0.662349  1
  H  H61  1  0.111357  0.069308  0.662349  1
  H  H62  1  0.510538  0.120044  0.640935  1
  H  H63  1  0.611357  0.569308  0.662349  1
  H  H64  1  0.010538  0.620044  0.640935  1
  H  H65  1  0.458941  0.273546  0.684949  1
  H  H66  1  0.059173  0.219158  0.706177  1
  H  H67  1  0.958941  0.773546  0.684949  1
  H  H68  1  0.559173  0.719158  0.706177  1
  H  H69  1  0.309173  0.969158  0.706177  1
  H  H70  1  0.708941  1.023546  0.684949  1
  H  H71  1  0.809173  0.469158  0.706177  1
  H  H72  1  0.208941  0.523546  0.684949  1
  H  H73  1  0.648211  0.172762  0.729862  1
  H  H74  1  0.251025  0.101922  0.752052  1
  H  H75  1  0.148211  0.672762  0.729862  1
  H  H76  1  0.751025  0.601922  0.752052  1
  H  H77  1  0.501025  0.851922  0.752052  1
  H  H78  1  0.898211  0.922762  0.729862  1
  H  H79  1  0.001025  0.351922  0.752052  1
  H  H80  1  0.398211  0.422762  0.729862  1
