# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14815143
_cell_length_b   7.88866745
_cell_length_c   48.31396874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.04852193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1854.68827538
_cell_formula_units_Z   36
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  0.119286  0.738228  0.297543  1
  H  H2  1  0.339482  0.178622  0.322543  1
  H  H3  1  0.945628  0.390920  0.277826  1
  H  H4  1  0.165825  0.831318  0.302826  1
  H  H5  1  0.509186  0.518032  0.285043  1
  H  H6  1  0.729384  0.958425  0.310043  1
  H  H7  1  0.555727  0.611122  0.290326  1
  H  H8  1  0.775923  0.051515  0.315326  1
  H  H9  1  0.559679  0.619014  0.347543  1
  H  H10  1  0.779875  0.059407  0.372543  1
  H  H11  1  0.386022  0.271712  0.327826  1
  H  H12  1  0.606218  0.712105  0.352826  1
  H  H13  1  0.949580  0.398818  0.335043  1
  H  H14  1  0.169777  0.839210  0.360043  1
  H  H15  1  0.996120  0.491909  0.340326  1
  H  H16  1  0.216317  0.932301  0.365326  1
  H  H17  1  1.000071  0.499799  0.397543  1
  H  H18  1  0.220267  0.940192  0.422543  1
  H  H19  1  0.826415  0.152498  0.377826  1
  H  H20  1  0.046611  0.592890  0.402826  1
  H  H21  1  0.389973  0.279603  0.385043  1
  H  H22  1  0.610169  0.719995  0.410043  1
  H  H23  1  0.436513  0.372694  0.390326  1
  H  H24  1  0.656709  0.813086  0.415326  1
  H  H25  1  0.440464  0.380584  0.447543  1
  H  H26  1  0.660660  0.820977  0.472543  1
  H  H27  1  0.266807  0.033283  0.427826  1
  H  H28  1  0.487003  0.473675  0.452826  1
  H  H29  1  0.830365  0.160388  0.435043  1
  H  H30  1  0.050562  0.600780  0.460043  1
  H  H31  1  0.876905  0.253479  0.440326  1
  H  H32  1  0.097102  0.693871  0.465326  1
  H  H33  1  0.880856  0.261369  0.497543  1
  H  H34  1  0.101052  0.701762  0.522543  1
  H  H35  1  0.707200  0.914068  0.477826  1
  H  H36  1  0.927396  0.354460  0.502826  1
  H  H37  1  0.270758  0.041173  0.485043  1
  H  H38  1  0.490954  0.481565  0.510043  1
  H  H39  1  0.317298  0.134264  0.490326  1
  H  H40  1  0.537494  0.574656  0.515326  1
  H  H41  1  0.321249  0.142154  0.547543  1
  H  H42  1  0.541445  0.582547  0.572543  1
  H  H43  1  0.147592  0.794853  0.527826  1
  H  H44  1  0.367789  0.235245  0.552826  1
  H  H45  1  0.711151  0.921958  0.535043  1
  H  H46  1  0.931347  0.362350  0.560043  1
  H  H47  1  0.757690  0.015049  0.540326  1
  H  H48  1  0.977887  0.455441  0.565326  1
  H  H49  1  0.761641  0.022939  0.597543  1
  H  H50  1  0.981837  0.463332  0.622543  1
  H  H51  1  0.587985  0.675638  0.577826  1
  H  H52  1  0.808181  0.116030  0.602826  1
  H  H53  1  0.151543  0.802743  0.585043  1
  H  H54  1  0.371739  0.243136  0.610043  1
  H  H55  1  0.198083  0.895834  0.590326  1
  H  H56  1  0.418279  0.336227  0.615326  1
  H  H57  1  0.202034  0.903724  0.647543  1
  H  H58  1  0.422230  0.344117  0.672543  1
  H  H59  1  0.028377  0.556423  0.627826  1
  H  H60  1  0.248574  0.996815  0.652826  1
  H  H61  1  0.591936  0.683528  0.635043  1
  H  H62  1  0.812132  0.123921  0.660043  1
  H  H63  1  0.638475  0.776619  0.640326  1
  H  H64  1  0.858672  0.217011  0.665326  1
  H  H65  1  0.642427  0.784512  0.697542  1
  H  H66  1  0.862624  0.224910  0.722543  1
  H  H67  1  0.468770  0.437208  0.677826  1
  H  H68  1  0.688967  0.877601  0.702826  1
  H  H69  1  0.032329  0.564315  0.685042  1
  H  H70  1  0.252525  0.004708  0.710042  1
  H  H71  1  0.078868  0.657404  0.690326  1
  H  H72  1  0.299067  0.097797  0.715326  1
