# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82790128
_cell_length_b   6.05626384
_cell_length_c   48.08646260
_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   H54
_cell_volume   1114.77788756
_cell_formula_units_Z   27
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  0.753129  0.036299  0.288894  1
  H  H2  1  0.753129  0.648810  0.305479  1
  H  H3  1  0.753129  0.296252  0.323023  1
  H  H4  1  0.253129  0.067985  0.317790  1
  H  H5  1  0.253129  0.797721  0.284601  1
  H  H6  1  0.253129  0.410955  0.297584  1
  H  H7  1  0.753129  0.930313  0.338072  1
  H  H8  1  0.753129  0.576172  0.354656  1
  H  H9  1  0.753129  0.215128  0.370184  1
  H  H10  1  0.253129  0.995206  0.364629  1
  H  H11  1  0.253129  0.704157  0.332294  1
  H  H12  1  0.253129  0.353833  0.348701  1
  H  H13  1  0.753129  0.859679  0.386202  1
  H  H14  1  0.753129  0.501543  0.402023  1
  H  H15  1  0.753129  0.145257  0.417725  1
  H  H16  1  0.253129  0.928488  0.412083  1
  H  H17  1  0.253129  0.640638  0.380470  1
  H  H18  1  0.253129  0.284540  0.396138  1
  H  H19  1  0.753129  0.788188  0.433568  1
  H  H20  1  0.753129  0.431386  0.449373  1
  H  H21  1  0.753129  0.074643  0.465108  1
  H  H22  1  0.253129  0.858666  0.459475  1
  H  H23  1  0.253129  0.571875  0.427873  1
  H  H24  1  0.253129  0.215429  0.443631  1
  H  H25  1  0.753129  0.717852  0.480923  1
  H  H26  1  0.753129  0.361022  0.496734  1
  H  H27  1  0.753129  0.004315  0.512492  1
  H  H28  1  0.253129  0.788386  0.506847  1
  H  H29  1  0.253129  0.501922  0.475278  1
  H  H30  1  0.253129  0.145216  0.491036  1
  H  H31  1  0.753129  0.647571  0.528295  1
  H  H32  1  0.753129  0.290809  0.544139  1
  H  H33  1  0.753129  0.934362  0.559897  1
  H  H34  1  0.253129  0.718050  0.554202  1
  H  H35  1  0.253129  0.431595  0.522662  1
  H  H36  1  0.253129  0.074852  0.538397  1
  H  H37  1  0.753129  0.577750  0.575687  1
  H  H38  1  0.753129  0.221698  0.591631  1
  H  H39  1  0.753129  0.865600  0.607299  1
  H  H40  1  0.253129  0.646559  0.601568  1
  H  H41  1  0.253129  0.360980  0.570045  1
  H  H42  1  0.253129  0.004695  0.585747  1
  H  H43  1  0.753129  0.511032  0.623141  1
  H  H44  1  0.753129  0.152405  0.639068  1
  H  H45  1  0.753129  0.802081  0.655475  1
  H  H46  1  0.253129  0.575924  0.649697  1
  H  H47  1  0.253129  0.291110  0.617586  1
  H  H48  1  0.253129  0.930065  0.633114  1
  H  H49  1  0.753129  0.438253  0.669980  1
  H  H50  1  0.753129  0.095282  0.690186  1
  H  H51  1  0.753129  0.708517  0.703168  1
  H  H52  1  0.253129  0.469939  0.698876  1
  H  H53  1  0.253129  0.209986  0.664747  1
  H  H54  1  0.253129  0.857428  0.682290  1
