# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04140019
_cell_length_b   5.41698770
_cell_length_c   45.45448529
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.52763215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   740.593790841
_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  0.997198  0.517110  0.292052  1
  H  H2  1  0.444843  0.051483  0.281848  1
  H  H3  1  0.091402  0.455262  0.310413  1
  H  H4  1  0.539048  0.989634  0.300209  1
  H  H5  1  0.202864  0.382084  0.332138  1
  H  H6  1  0.650509  0.916456  0.321934  1
  H  H7  1  0.305072  0.314981  0.352058  1
  H  H8  1  0.752718  0.849353  0.341854  1
  H  H9  1  0.411092  0.245375  0.372722  1
  H  H10  1  0.858737  0.779747  0.362518  1
  H  H11  1  0.515276  0.176975  0.393028  1
  H  H12  1  0.962921  0.711347  0.382824  1
  H  H13  1  0.620294  0.108027  0.413497  1
  H  H14  1  0.067939  0.642399  0.403293  1
  H  H15  1  0.724921  0.039336  0.433889  1
  H  H16  1  0.172566  0.573708  0.423685  1
  H  H17  1  0.829729  0.970526  0.454316  1
  H  H18  1  0.277375  0.504898  0.444112  1
  H  H19  1  0.934452  0.901772  0.474727  1
  H  H20  1  0.382098  0.436144  0.464523  1
  H  H21  1  0.039217  0.832990  0.495147  1
  H  H22  1  0.486863  0.367362  0.484943  1
  H  H23  1  0.143956  0.764225  0.515561  1
  H  H24  1  0.591602  0.298597  0.505357  1
  H  H25  1  0.248722  0.695443  0.535980  1
  H  H26  1  0.696367  0.229815  0.525776  1
  H  H27  1  0.353444  0.626689  0.556391  1
  H  H28  1  0.801090  0.161061  0.546187  1
  H  H29  1  0.458253  0.557879  0.576819  1
  H  H30  1  0.905899  0.092251  0.566614  1
  H  H31  1  0.562880  0.489188  0.597211  1
  H  H32  1  0.010526  0.023560  0.587007  1
  H  H33  1  0.667898  0.420240  0.617679  1
  H  H34  1  0.115544  0.954612  0.607475  1
  H  H35  1  0.772082  0.351840  0.637985  1
  H  H36  1  0.219728  0.886212  0.627781  1
  H  H37  1  0.878102  0.282234  0.658649  1
  H  H38  1  0.325747  0.816607  0.648445  1
  H  H39  1  0.980310  0.215131  0.678570  1
  H  H40  1  0.427956  0.749503  0.668366  1
  H  H41  1  0.091771  0.141953  0.700294  1
  H  H42  1  0.539417  0.676325  0.690090  1
  H  H43  1  0.185976  0.080104  0.718655  1
  H  H44  1  0.633622  0.614477  0.708451  1
