# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75623480
_cell_length_b   5.77940367
_cell_length_c   47.74369342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   983.270543549
_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  0.626594  0.444366  0.287829  1
  H  H2  1  0.828352  0.869835  0.307503  1
  H  H3  1  0.008581  0.200527  0.278773  1
  H  H4  1  0.233827  0.668390  0.295324  1
  H  H5  1  0.037846  0.320357  0.324685  1
  H  H6  1  0.236399  0.755974  0.342802  1
  H  H7  1  0.436036  0.096129  0.314236  1
  H  H8  1  0.633986  0.533035  0.334656  1
  H  H9  1  0.432148  0.193570  0.361262  1
  H  H10  1  0.631668  0.635762  0.380421  1
  H  H11  1  0.833728  0.977152  0.352757  1
  H  H12  1  0.032325  0.415546  0.370940  1
  H  H13  1  0.830468  0.075181  0.398879  1
  H  H14  1  0.029972  0.515089  0.417253  1
  H  H15  1  0.231293  0.855389  0.389274  1
  H  H16  1  0.430537  0.294611  0.407810  1
  H  H17  1  0.228690  0.954846  0.435707  1
  H  H18  1  0.427432  0.394276  0.454252  1
  H  H19  1  0.629039  0.734825  0.426627  1
  H  H20  1  0.827915  0.174715  0.445127  1
  H  H21  1  0.626174  0.834312  0.472888  1
  H  H22  1  0.825008  0.274215  0.491443  1
  H  H23  1  0.026867  0.614492  0.463598  1
  H  H24  1  0.225633  0.054195  0.482097  1
  H  H25  1  0.023866  0.713887  0.509961  1
  H  H26  1  0.222633  0.153590  0.528460  1
  H  H27  1  0.424491  0.493867  0.500615  1
  H  H28  1  0.623325  0.933770  0.519170  1
  H  H29  1  0.421585  0.593367  0.546931  1
  H  H30  1  0.620461  0.033257  0.565432  1
  H  H31  1  0.822068  0.373806  0.537807  1
  H  H32  1  0.020809  0.813236  0.556351  1
  H  H33  1  0.818963  0.473471  0.584248  1
  H  H34  1  0.018206  0.912693  0.602785  1
  H  H35  1  0.219528  0.252993  0.574805  1
  H  H36  1  0.419031  0.692900  0.593180  1
  H  H37  1  0.217174  0.352536  0.621118  1
  H  H38  1  0.415771  0.790930  0.639301  1
  H  H39  1  0.617832  0.132320  0.611637  1
  H  H40  1  0.817352  0.574512  0.630797  1
  H  H41  1  0.615514  0.235047  0.657402  1
  H  H42  1  0.813464  0.671953  0.677822  1
  H  H43  1  0.013101  0.012108  0.649257  1
  H  H44  1  0.211654  0.447724  0.667373  1
  H  H45  1  0.015673  0.099691  0.696734  1
  H  H46  1  0.240918  0.567555  0.713285  1
  H  H47  1  0.421148  0.898246  0.684555  1
  H  H48  1  0.622906  0.323716  0.704229  1
