# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.78492214
_cell_length_b   32.95093322
_cell_length_c   45.95022532
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H180
_cell_volume   28001.3106774
_cell_formula_units_Z   90
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  0.218254  0.721230  0.285354  1
  H  H2  1  0.742063  0.518849  0.376263  1
  H  H3  1  0.837302  0.709325  0.315657  1
  H  H4  1  0.218254  0.221230  0.285354  1
  H  H5  1  0.170635  0.375992  0.315657  1
  H  H6  1  0.123016  0.530754  0.345960  1
  H  H7  1  0.551587  0.387897  0.285354  1
  H  H8  1  0.503968  0.542659  0.315657  1
  H  H9  1  0.456349  0.697421  0.345960  1
  H  H10  1  0.884921  0.054563  0.285354  1
  H  H11  1  0.837302  0.209325  0.315657  1
  H  H12  1  0.789683  0.364087  0.345960  1
  H  H13  1  0.170635  0.875992  0.315657  1
  H  H14  1  0.123016  0.030754  0.345960  1
  H  H15  1  0.551587  0.887897  0.285354  1
  H  H16  1  0.503968  0.042659  0.315657  1
  H  H17  1  0.456349  0.197421  0.345960  1
  H  H18  1  0.789683  0.864087  0.345960  1
  H  H19  1  0.384921  0.804563  0.285354  1
  H  H20  1  0.051587  0.637897  0.285354  1
  H  H21  1  0.003968  0.792659  0.315657  1
  H  H22  1  0.384921  0.304563  0.285354  1
  H  H23  1  0.337302  0.459325  0.315657  1
  H  H24  1  0.289683  0.614087  0.345960  1
  H  H25  1  0.718254  0.471230  0.285354  1
  H  H26  1  0.670635  0.625992  0.315657  1
  H  H27  1  0.623016  0.780754  0.345960  1
  H  H28  1  0.051587  0.137897  0.285354  1
  H  H29  1  0.003968  0.292659  0.315657  1
  H  H30  1  0.956349  0.447421  0.345960  1
  H  H31  1  0.337302  0.959325  0.315657  1
  H  H32  1  0.289683  0.114087  0.345960  1
  H  H33  1  0.718254  0.971230  0.285354  1
  H  H34  1  0.670635  0.125992  0.315657  1
  H  H35  1  0.623016  0.280754  0.345960  1
  H  H36  1  0.956349  0.947421  0.345960  1
  H  H37  1  0.075397  0.685516  0.376263  1
  H  H38  1  0.599206  0.483135  0.467172  1
  H  H39  1  0.694444  0.673611  0.406566  1
  H  H40  1  0.075397  0.185516  0.376263  1
  H  H41  1  0.027778  0.340278  0.406566  1
  H  H42  1  0.980159  0.495040  0.436869  1
  H  H43  1  0.408730  0.352183  0.376263  1
  H  H44  1  0.361111  0.506944  0.406566  1
  H  H45  1  0.313492  0.661706  0.436869  1
  H  H46  1  0.742063  0.018849  0.376263  1
  H  H47  1  0.694444  0.173611  0.406566  1
  H  H48  1  0.646825  0.328373  0.436869  1
  H  H49  1  0.027778  0.840278  0.406566  1
  H  H50  1  0.980159  0.995040  0.436869  1
  H  H51  1  0.408730  0.852183  0.376263  1
  H  H52  1  0.361111  0.006944  0.406566  1
  H  H53  1  0.313492  0.161706  0.436869  1
  H  H54  1  0.646825  0.828373  0.436869  1
  H  H55  1  0.242063  0.768849  0.376263  1
  H  H56  1  0.908730  0.602183  0.376263  1
  H  H57  1  0.861111  0.756944  0.406566  1
  H  H58  1  0.242063  0.268849  0.376263  1
  H  H59  1  0.194444  0.423611  0.406566  1
  H  H60  1  0.146825  0.578373  0.436869  1
  H  H61  1  0.575397  0.435516  0.376263  1
  H  H62  1  0.527778  0.590278  0.406566  1
  H  H63  1  0.480159  0.745040  0.436869  1
  H  H64  1  0.908730  0.102183  0.376263  1
  H  H65  1  0.861111  0.256944  0.406566  1
  H  H66  1  0.813492  0.411706  0.436869  1
  H  H67  1  0.194444  0.923611  0.406566  1
  H  H68  1  0.146825  0.078373  0.436869  1
  H  H69  1  0.575397  0.935516  0.376263  1
  H  H70  1  0.527778  0.090278  0.406566  1
  H  H71  1  0.480159  0.245040  0.436869  1
  H  H72  1  0.813492  0.911706  0.436869  1
  H  H73  1  0.932540  0.649802  0.467172  1
  H  H74  1  0.456349  0.447421  0.558081  1
  H  H75  1  0.551587  0.637897  0.497475  1
  H  H76  1  0.932540  0.149802  0.467172  1
  H  H77  1  0.884921  0.304563  0.497475  1
  H  H78  1  0.837302  0.459325  0.527778  1
  H  H79  1  0.265873  0.316468  0.467172  1
  H  H80  1  0.218254  0.471230  0.497475  1
  H  H81  1  0.170635  0.625992  0.527778  1
  H  H82  1  0.599206  0.983135  0.467172  1
  H  H83  1  0.551587  0.137897  0.497475  1
  H  H84  1  0.503968  0.292659  0.527778  1
  H  H85  1  0.884921  0.804563  0.497475  1
  H  H86  1  0.837302  0.959325  0.527778  1
  H  H87  1  0.265873  0.816468  0.467172  1
  H  H88  1  0.218254  0.971230  0.497475  1
  H  H89  1  0.170635  0.125992  0.527778  1
  H  H90  1  0.503968  0.792659  0.527778  1
  H  H91  1  0.099206  0.733135  0.467172  1
  H  H92  1  0.765873  0.566468  0.467172  1
  H  H93  1  0.718254  0.721230  0.497475  1
  H  H94  1  0.099206  0.233135  0.467172  1
  H  H95  1  0.051587  0.387897  0.497475  1
  H  H96  1  0.003968  0.542659  0.527778  1
  H  H97  1  0.432540  0.399802  0.467172  1
  H  H98  1  0.384921  0.554563  0.497475  1
  H  H99  1  0.337302  0.709325  0.527778  1
  H  H100  1  0.765873  0.066468  0.467172  1
  H  H101  1  0.718254  0.221230  0.497475  1
  H  H102  1  0.670635  0.375992  0.527778  1
  H  H103  1  0.051587  0.887897  0.497475  1
  H  H104  1  0.003968  0.042659  0.527778  1
  H  H105  1  0.432540  0.899802  0.467172  1
  H  H106  1  0.384921  0.054563  0.497475  1
  H  H107  1  0.337302  0.209325  0.527778  1
  H  H108  1  0.670635  0.875992  0.527778  1
  H  H109  1  0.789683  0.614087  0.558081  1
  H  H110  1  0.313492  0.411706  0.648990  1
  H  H111  1  0.408730  0.602183  0.588384  1
  H  H112  1  0.789683  0.114087  0.558081  1
  H  H113  1  0.742063  0.268849  0.588384  1
  H  H114  1  0.694444  0.423611  0.618687  1
  H  H115  1  0.123016  0.280754  0.558081  1
  H  H116  1  0.075397  0.435516  0.588384  1
  H  H117  1  0.027778  0.590278  0.618687  1
  H  H118  1  0.456349  0.947421  0.558081  1
  H  H119  1  0.408730  0.102183  0.588384  1
  H  H120  1  0.361111  0.256944  0.618687  1
  H  H121  1  0.742063  0.768849  0.588384  1
  H  H122  1  0.694444  0.923611  0.618687  1
  H  H123  1  0.123016  0.780754  0.558081  1
  H  H124  1  0.075397  0.935516  0.588384  1
  H  H125  1  0.027778  0.090278  0.618687  1
  H  H126  1  0.361111  0.756944  0.618687  1
  H  H127  1  0.956349  0.697421  0.558081  1
  H  H128  1  0.623016  0.530754  0.558081  1
  H  H129  1  0.575397  0.685516  0.588384  1
  H  H130  1  0.956349  0.197421  0.558081  1
  H  H131  1  0.908730  0.352183  0.588384  1
  H  H132  1  0.861111  0.506944  0.618687  1
  H  H133  1  0.289683  0.364087  0.558081  1
  H  H134  1  0.242063  0.518849  0.588384  1
  H  H135  1  0.194444  0.673611  0.618687  1
  H  H136  1  0.623016  0.030754  0.558081  1
  H  H137  1  0.575397  0.185516  0.588384  1
  H  H138  1  0.527778  0.340278  0.618687  1
  H  H139  1  0.908730  0.852183  0.588384  1
  H  H140  1  0.861111  0.006944  0.618687  1
  H  H141  1  0.289683  0.864087  0.558081  1
  H  H142  1  0.242063  0.018849  0.588384  1
  H  H143  1  0.194444  0.173611  0.618687  1
  H  H144  1  0.527778  0.840278  0.618687  1
  H  H145  1  0.646825  0.578373  0.648990  1
  H  H146  1  0.170635  0.375992  0.739899  1
  H  H147  1  0.265873  0.566468  0.679293  1
  H  H148  1  0.646825  0.078373  0.648990  1
  H  H149  1  0.599206  0.233135  0.679293  1
  H  H150  1  0.551587  0.387897  0.709596  1
  H  H151  1  0.980159  0.245040  0.648990  1
  H  H152  1  0.932540  0.399802  0.679293  1
  H  H153  1  0.884921  0.554563  0.709596  1
  H  H154  1  0.313492  0.911706  0.648990  1
  H  H155  1  0.265873  0.066468  0.679293  1
  H  H156  1  0.218254  0.221230  0.709596  1
  H  H157  1  0.599206  0.733135  0.679293  1
  H  H158  1  0.551587  0.887897  0.709596  1
  H  H159  1  0.980159  0.745040  0.648990  1
  H  H160  1  0.932540  0.899802  0.679293  1
  H  H161  1  0.884921  0.054563  0.709596  1
  H  H162  1  0.218254  0.721230  0.709596  1
  H  H163  1  0.813492  0.661706  0.648990  1
  H  H164  1  0.480159  0.495040  0.648990  1
  H  H165  1  0.432540  0.649802  0.679293  1
  H  H166  1  0.813492  0.161706  0.648990  1
  H  H167  1  0.765873  0.316468  0.679293  1
  H  H168  1  0.718254  0.471230  0.709596  1
  H  H169  1  0.146825  0.328373  0.648990  1
  H  H170  1  0.099206  0.483135  0.679293  1
  H  H171  1  0.051587  0.637897  0.709596  1
  H  H172  1  0.480159  0.995040  0.648990  1
  H  H173  1  0.432540  0.149802  0.679293  1
  H  H174  1  0.384921  0.304563  0.709596  1
  H  H175  1  0.765873  0.816468  0.679293  1
  H  H176  1  0.718254  0.971230  0.709596  1
  H  H177  1  0.146825  0.828373  0.648990  1
  H  H178  1  0.099206  0.983135  0.679293  1
  H  H179  1  0.051587  0.137897  0.709596  1
  H  H180  1  0.384921  0.804563  0.709596  1
