# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27654946
_cell_length_b   7.75605962
_cell_length_c   49.02428153
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.68053069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   857.858552573
_cell_formula_units_Z   22
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  1.006632  0.485720  0.267200  1
  H  H2  1  0.273969  1.016262  0.246920  1
  H  H3  1  0.641915  0.750114  0.257158  1
  H  H4  1  0.377360  0.227267  0.278529  1
  H  H5  1  0.484544  0.444522  0.309724  1
  H  H6  1  0.746157  0.964882  0.289194  1
  H  H7  1  0.115375  0.704245  0.299211  1
  H  H8  1  0.852645  0.182788  0.320180  1
  H  H9  1  0.958946  0.399655  0.351439  1
  H  H10  1  0.221185  0.921239  0.330576  1
  H  H11  1  0.590289  0.660728  0.340971  1
  H  H12  1  0.327485  0.138413  0.361897  1
  H  H13  1  0.433625  0.355245  0.393241  1
  H  H14  1  0.696248  0.877401  0.372357  1
  H  H15  1  0.064973  0.616365  0.382787  1
  H  H16  1  0.802317  0.094166  0.403703  1
  H  H17  1  0.908387  0.310917  0.435053  1
  H  H18  1  0.171007  0.833070  0.414155  1
  H  H19  1  0.539694  0.571990  0.424598  1
  H  H20  1  0.277075  1.049828  0.445507  1
  H  H21  1  0.383139  0.266574  0.476861  1
  H  H22  1  0.645757  0.788735  0.455957  1
  H  H23  1  1.014447  0.527655  0.466407  1
  H  H24  1  0.751829  1.005495  0.487311  1
  H  H25  1  0.857892  0.222240  0.518670  1
  H  H26  1  0.120511  0.744402  0.497761  1
  H  H27  1  0.489199  0.483312  0.508215  1
  H  H28  1  0.226579  0.961160  0.529112  1
  H  H29  1  0.332613  0.177864  0.560480  1
  H  H30  1  0.595269  0.700064  0.539565  1
  H  H31  1  0.963961  0.438985  0.550027  1
  H  H32  1  0.701338  0.916829  0.570911  1
  H  H33  1  0.807298  0.133501  0.602297  1
  H  H34  1  0.070101  0.655816  0.581371  1
  H  H35  1  0.438640  0.394575  0.591829  1
  H  H36  1  0.176401  0.872991  0.612692  1
  H  H37  1  0.282211  0.089984  0.644057  1
  H  H38  1  0.544941  0.611442  0.623088  1
  H  H39  1  0.913042  0.349707  0.633544  1
  H  H40  1  0.651429  0.829348  0.654074  1
  H  H41  1  0.755671  1.044116  0.686110  1
  H  H42  1  1.020226  0.566962  0.664739  1
  H  H43  1  0.390954  0.308509  0.676068  1
  H  H44  1  0.123617  0.777967  0.696348  1
