# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28261450
_cell_length_b   4.28628368
_cell_length_c   47.31518142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.92836585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   816.532477353
_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  0.070448  0.773188  0.282893  1
  H  H2  1  0.195184  0.648752  0.291220  1
  H  H3  1  0.342771  0.501521  0.301074  1
  H  H4  1  0.478105  0.366513  0.310109  1
  H  H5  1  0.618486  0.226470  0.319481  1
  H  H6  1  0.756436  0.088852  0.328691  1
  H  H7  1  0.895490  0.950133  0.337975  1
  H  H8  1  0.034028  0.811929  0.347224  1
  H  H9  1  0.172804  0.673487  0.356489  1
  H  H10  1  0.311469  0.535156  0.365746  1
  H  H11  1  0.450186  0.396773  0.375007  1
  H  H12  1  0.588878  0.258415  0.384267  1
  H  H13  1  0.727582  0.120045  0.393527  1
  H  H14  1  0.866281  0.981681  0.402787  1
  H  H15  1  0.004982  0.843314  0.412047  1
  H  H16  1  0.143682  0.704948  0.421307  1
  H  H17  1  0.282382  0.566581  0.430567  1
  H  H18  1  0.421082  0.428215  0.439827  1
  H  H19  1  0.559783  0.289849  0.449087  1
  H  H20  1  0.698483  0.151483  0.458347  1
  H  H21  1  0.837183  0.013117  0.467607  1
  H  H22  1  0.975884  0.874750  0.476867  1
  H  H23  1  0.114584  0.736384  0.486127  1
  H  H24  1  0.253284  0.598018  0.495387  1
  H  H25  1  0.391984  0.459652  0.504647  1
  H  H26  1  0.530685  0.321286  0.513907  1
  H  H27  1  0.669385  0.182919  0.523167  1
  H  H28  1  0.808085  0.044553  0.532427  1
  H  H29  1  0.946786  0.906187  0.541687  1
  H  H30  1  0.085486  0.767821  0.550947  1
  H  H31  1  0.224186  0.629455  0.560207  1
  H  H32  1  0.362886  0.491089  0.569467  1
  H  H33  1  0.501587  0.352722  0.578727  1
  H  H34  1  0.640287  0.214356  0.587987  1
  H  H35  1  0.778988  0.075989  0.597247  1
  H  H36  1  0.917687  0.937625  0.606507  1
  H  H37  1  0.056390  0.799255  0.615767  1
  H  H38  1  0.195083  0.660896  0.625026  1
  H  H39  1  0.333800  0.522514  0.634287  1
  H  H40  1  0.472465  0.384183  0.643545  1
  H  H41  1  0.611241  0.245741  0.652810  1
  H  H42  1  0.749778  0.107537  0.662059  1
  H  H43  1  0.888833  0.968818  0.671343  1
  H  H44  1  0.026783  0.831200  0.680553  1
  H  H45  1  0.167164  0.691157  0.689925  1
  H  H46  1  0.302498  0.556149  0.698960  1
  H  H47  1  0.450084  0.408918  0.708813  1
  H  H48  1  0.574821  0.284482  0.717141  1
