# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27195254
_cell_length_b   7.69461781
_cell_length_c   45.36195002
_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   H39
_cell_volume   793.008832883
_cell_formula_units_Z   19
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  0.576047  0.539706  0.312052  1
  H  H2  1  0.076047  0.809897  0.329129  1
  H  H3  1  0.576047  0.085879  0.336960  1
  H  H4  1  0.076047  0.352141  0.347073  1
  H  H5  1  0.576047  0.609978  0.359879  1
  H  H6  1  0.576047  0.884116  0.374337  1
  H  H7  1  0.076047  0.144397  0.382608  1
  H  H8  1  0.576047  0.401470  0.393401  1
  H  H9  1  0.076047  0.665482  0.404227  1
  H  H10  1  0.076047  0.937246  0.418502  1
  H  H11  1  0.576047  0.194454  0.428196  1
  H  H12  1  0.076047  0.459667  0.438542  1
  H  H13  1  0.576047  0.741874  0.451858  1
  H  H14  1  0.076047  1.022924  0.465062  1
  H  H15  1  0.576047  0.288535  0.475174  1
  H  H16  1  0.076047  0.546894  0.485133  1
  H  H17  1  0.076047  0.817814  0.499755  1
  H  H18  1  0.576047  0.080351  0.509989  1
  H  H19  1  0.076047  0.339151  0.520538  1
  H  H20  1  0.576047  0.600699  0.529967  1
  H  H21  1  0.576047  0.872465  0.544681  1
  H  H22  1  0.076047  0.130033  0.555456  1
  H  H23  1  0.576047  0.397630  0.565581  1
  H  H24  1  0.076047  0.677065  0.576795  1
  H  H25  1  0.576047  0.950952  0.591722  1
  H  H26  1  0.076047  0.225057  0.601776  1
  H  H27  1  0.576047  0.499545  0.611592  1
  H  H28  1  0.076047  0.774538  0.626662  1
  H  H29  1  0.576047  0.052955  0.637987  1
  H  H30  1  0.076047  0.320401  0.648109  1
  H  H31  1  0.576047  0.578076  0.658300  1
  H  H32  1  0.576047  0.851024  0.673685  1
  H  H33  1  0.076047  0.112575  0.683200  1
  H  H34  1  0.576047  0.370514  0.693524  1
  H  H35  1  0.076047  0.632499  0.701959  1
  H  H36  1  0.076047  0.907317  0.718825  1
  H  H37  1  0.576047  0.164257  0.729355  1
  H  H38  1  0.076047  0.428412  0.738651  1
  H  H39  1  0.576047  0.696659  0.746971  1
