# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.31535865
_cell_length_b   6.73098325
_cell_length_c   65.80938463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.91502186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   1009.7689292
_cell_formula_units_Z   24
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  0.731302  0.393757  0.138215  1
  H  H2  1  1.064635  0.727091  0.138215  1
  H  H3  1  0.397969  0.060424  0.138215  1
  H  H4  1  0.301975  0.257524  0.166550  1
  H  H5  1  0.635309  0.590857  0.166550  1
  H  H6  1  0.968642  0.924190  0.166550  1
  H  H7  1  0.869944  0.120663  0.194421  1
  H  H8  1  0.203278  0.453996  0.194421  1
  H  H9  1  0.536611  0.787329  0.194421  1
  H  H10  1  0.438851  0.984374  0.222423  1
  H  H11  1  0.772184  0.317708  0.222423  1
  H  H12  1  1.105518  0.651041  0.222423  1
  H  H13  1  1.007446  0.847781  0.250420  1
  H  H14  1  0.340780  0.181114  0.250420  1
  H  H15  1  0.674113  0.514448  0.250420  1
  H  H16  1  0.576204  0.711234  0.278419  1
  H  H17  1  0.909537  0.044568  0.278419  1
  H  H18  1  0.242871  0.377901  0.278419  1
  H  H19  1  0.144889  0.574680  0.306417  1
  H  H20  1  0.478223  0.908014  0.306417  1
  H  H21  1  0.811556  0.241347  0.306417  1
  H  H22  1  0.713607  0.438128  0.334415  1
  H  H23  1  1.046940  0.771461  0.334415  1
  H  H24  1  0.380273  0.104795  0.334415  1
  H  H25  1  0.282307  0.301575  0.362413  1
  H  H26  1  0.615640  0.634909  0.362413  1
  H  H27  1  0.948973  0.968242  0.362413  1
  H  H28  1  0.851024  0.165023  0.390411  1
  H  H29  1  0.184357  0.498356  0.390411  1
  H  H30  1  0.517690  0.831689  0.390411  1
  H  H31  1  0.419709  1.028469  0.418409  1
  H  H32  1  0.753042  0.361802  0.418409  1
  H  H33  1  1.086376  0.695136  0.418409  1
  H  H34  1  0.988467  0.891922  0.446408  1
  H  H35  1  0.321800  0.225255  0.446408  1
  H  H36  1  0.655134  0.558589  0.446408  1
  H  H37  1  0.557062  0.755329  0.474405  1
  H  H38  1  0.890396  0.088662  0.474405  1
  H  H39  1  0.223729  0.421995  0.474405  1
  H  H40  1  1.125969  0.619040  0.502407  1
  H  H41  1  0.459302  0.952374  0.502407  1
  H  H42  1  0.792636  0.285707  0.502407  1
  H  H43  1  0.693938  0.482179  0.530278  1
  H  H44  1  1.027271  0.815513  0.530278  1
  H  H45  1  0.360605  0.148846  0.530278  1
  H  H46  1  0.264611  0.345946  0.558613  1
  H  H47  1  0.597945  0.679279  0.558613  1
  H  H48  1  0.931278  1.012613  0.558613  1
