# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30893021
_cell_length_b   7.15197343
_cell_length_c   48.95091353
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.19235415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   797.965267851
_cell_formula_units_Z   21
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  0.471243  0.939499  0.311227  1
  H  H2  1  0.708867  0.421155  0.265723  1
  H  H3  1  0.081269  0.166784  0.286899  1
  H  H4  1  0.875747  0.730448  0.282949  1
  H  H5  1  0.242955  0.481031  0.306440  1
  H  H6  1  0.622071  0.243053  0.328253  1
  H  H7  1  0.614565  0.231280  0.376783  1
  H  H8  1  0.850051  0.701712  0.332397  1
  H  H9  1  0.231105  0.465839  0.354485  1
  H  H10  1  0.004774  0.008088  0.351180  1
  H  H11  1  0.385401  0.770430  0.372898  1
  H  H12  1  0.767075  0.534617  0.395158  1
  H  H13  1  0.760191  0.522299  0.443373  1
  H  H14  1  0.996255  0.994568  0.399025  1
  H  H15  1  0.378163  0.758349  0.421144  1
  H  H16  1  0.149005  0.298423  0.417426  1
  H  H17  1  0.530915  0.062171  0.439648  1
  H  H18  1  0.912814  0.825884  0.461826  1
  H  H19  1  0.906047  0.813666  0.510009  1
  H  H20  1  0.142173  0.286140  0.465598  1
  H  H21  1  0.524091  0.049863  0.487798  1
  H  H22  1  0.294791  0.589738  0.484050  1
  H  H23  1  0.676747  0.353541  0.506262  1
  H  H24  1  0.058665  0.117264  0.528462  1
  H  H25  1  0.051833  0.104981  0.576634  1
  H  H26  1  0.288023  0.577520  0.532234  1
  H  H27  1  0.669923  0.341233  0.554412  1
  H  H28  1  0.440647  0.881105  0.550687  1
  H  H29  1  0.822674  0.645055  0.572916  1
  H  H30  1  0.204582  0.408835  0.595035  1
  H  H31  1  0.196063  0.395315  0.642880  1
  H  H32  1  0.433763  0.868787  0.598902  1
  H  H33  1  0.815437  0.632974  0.621162  1
  H  H34  1  0.586273  0.172123  0.617277  1
  H  H35  1  0.969733  0.937565  0.639575  1
  H  H36  1  0.350786  0.701692  0.661663  1
  H  H37  1  0.325091  0.672956  0.711110  1
  H  H38  1  0.578767  0.160350  0.665807  1
  H  H39  1  0.957883  0.922373  0.687620  1
  H  H40  1  0.729595  0.463904  0.682833  1
  H  H41  1  0.119569  0.236619  0.707161  1
  H  H42  1  0.491970  0.982248  0.728337  1
