# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46998523
_cell_length_b   4.94618861
_cell_length_c   55.05274825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   2034.08651376
_cell_formula_units_Z   48
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  0.833976  0.606363  0.233586  1
  H  H2  1  0.579639  0.337035  0.242124  1
  H  H3  1  0.333976  0.635257  0.233069  1
  H  H4  1  0.080176  0.908072  0.224827  1
  H  H5  1  0.833976  1.042335  0.250759  1
  H  H6  1  0.587776  0.908072  0.224827  1
  H  H7  1  0.333976  1.199912  0.216244  1
  H  H8  1  0.088313  0.337035  0.242124  1
  H  H9  1  0.833976  0.437093  0.271325  1
  H  H10  1  0.584830  1.143123  0.279364  1
  H  H11  1  0.333976  0.441461  0.270316  1
  H  H12  1  0.082872  0.734429  0.262454  1
  H  H13  1  0.833976  0.845155  0.288364  1
  H  H14  1  0.585080  0.734429  0.262454  1
  H  H15  1  0.333976  1.028790  0.253877  1
  H  H16  1  0.083122  1.143123  0.279364  1
  H  H17  1  0.833976  0.238804  0.307483  1
  H  H18  1  0.584264  0.942226  0.315953  1
  H  H19  1  0.333976  0.240937  0.306776  1
  H  H20  1  0.084259  0.537190  0.298572  1
  H  H21  1  0.833976  0.643154  0.325040  1
  H  H22  1  0.583692  0.537190  0.298572  1
  H  H23  1  0.333976  0.834663  0.289818  1
  H  H24  1  0.083688  0.942226  0.315953  1
  H  H25  1  0.833976  1.040837  0.343877  1
  H  H26  1  0.583973  0.743405  0.352636  1
  H  H27  1  0.333976  1.042577  0.343478  1
  H  H28  1  0.083753  0.339539  0.334852  1
  H  H29  1  0.833976  0.444193  0.361753  1
  H  H30  1  0.584199  0.339539  0.334852  1
  H  H31  1  0.333976  0.637349  0.325895  1
  H  H32  1  0.083978  0.743405  0.352636  1
  H  H33  1  0.833976  0.842991  0.380383  1
  H  H34  1  0.583978  0.544774  0.389252  1
  H  H35  1  0.333976  0.844140  0.380117  1
  H  H36  1  0.083833  1.142096  0.371309  1
  H  H37  1  0.833976  0.245427  0.398375  1
  H  H38  1  0.584119  1.142096  0.371309  1
  H  H39  1  0.333976  0.440745  0.362265  1
  H  H40  1  0.083974  0.544774  0.389252  1
  H  H41  1  0.833976  0.644725  0.416913  1
  H  H42  1  0.583959  0.346249  0.425826  1
  H  H43  1  0.333976  0.645622  0.416701  1
  H  H44  1  0.083924  0.944023  0.407806  1
  H  H45  1  0.833976  1.046932  0.434941  1
  H  H46  1  0.584027  0.944023  0.407806  1
  H  H47  1  0.333976  0.243155  0.398714  1
  H  H48  1  0.083993  0.346249  0.425826  1
  H  H49  1  0.833976  0.446330  0.453472  1
  H  H50  1  0.583924  1.147929  0.462367  1
  H  H51  1  0.333976  0.447227  0.453260  1
  H  H52  1  0.083959  0.745703  0.444347  1
  H  H53  1  0.833976  0.848797  0.471458  1
  H  H54  1  0.583993  0.745703  0.444347  1
  H  H55  1  0.333976  1.045020  0.435232  1
  H  H56  1  0.084027  1.147929  0.462367  1
  H  H57  1  0.833976  0.247811  0.490056  1
  H  H58  1  0.583833  0.949856  0.498864  1
  H  H59  1  0.333976  0.248961  0.489790  1
  H  H60  1  0.083978  0.547177  0.480921  1
  H  H61  1  0.833976  0.651206  0.507908  1
  H  H62  1  0.583974  0.547177  0.480921  1
  H  H63  1  0.333976  0.846525  0.471798  1
  H  H64  1  0.084119  0.949856  0.498864  1
  H  H65  1  0.833976  1.049375  0.526695  1
  H  H66  1  0.583753  0.752413  0.535321  1
  H  H67  1  0.333976  1.051115  0.526296  1
  H  H68  1  0.083973  0.348547  0.517537  1
  H  H69  1  0.833976  0.454602  0.544278  1
  H  H70  1  0.583978  0.348547  0.517537  1
  H  H71  1  0.333976  0.647759  0.508420  1
  H  H72  1  0.084199  0.752413  0.535321  1
  H  H73  1  0.833976  0.851015  0.563397  1
  H  H74  1  0.584259  0.554761  0.571601  1
  H  H75  1  0.333976  0.853147  0.562690  1
  H  H76  1  0.084264  1.149725  0.554220  1
  H  H77  1  0.833976  0.257289  0.580355  1
  H  H78  1  0.583688  1.149725  0.554220  1
  H  H79  1  0.333976  0.448798  0.545133  1
  H  H80  1  0.083692  0.554761  0.571601  1
  H  H81  1  0.833976  0.650491  0.599857  1
  H  H82  1  0.582872  0.357522  0.607719  1
  H  H83  1  0.333976  0.654859  0.598848  1
  H  H84  1  0.084830  0.948829  0.590809  1
  H  H85  1  0.833976  1.063162  0.616296  1
  H  H86  1  0.583122  0.948829  0.590809  1
  H  H87  1  0.333976  0.246796  0.581809  1
  H  H88  1  0.085080  0.357522  0.607719  1
  H  H89  1  0.833976  0.456695  0.637104  1
  H  H90  1  0.580176  1.183879  0.645346  1
  H  H91  1  0.333976  0.485589  0.636587  1
  H  H92  1  0.079639  0.754917  0.628049  1
  H  H93  1  0.833976  0.892039  0.653929  1
  H  H94  1  0.588313  0.754917  0.628049  1
  H  H95  1  0.333976  1.049616  0.619414  1
  H  H96  1  0.087776  1.183879  0.645346  1
