# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46938812
_cell_length_b   6.31017233
_cell_length_c   70.97859370
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1841.37120227
_cell_formula_units_Z   45
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  0.726419  0.674054  0.130769  1
  H  H2  1  1.226419  0.674054  0.130769  1
  H  H3  1  1.149471  1.014174  0.120651  1
  H  H4  1  0.579001  0.365955  0.111397  1
  H  H5  1  0.649471  1.014174  0.120651  1
  H  H6  1  1.079001  0.365955  0.111397  1
  H  H7  1  0.464458  0.641167  0.160033  1
  H  H8  1  0.964458  0.641167  0.160033  1
  H  H9  1  0.885492  0.985621  0.150321  1
  H  H10  1  0.307163  0.327466  0.140830  1
  H  H11  1  0.385492  0.985621  0.150321  1
  H  H12  1  0.807163  0.327466  0.140830  1
  H  H13  1  1.201181  0.609321  0.189325  1
  H  H14  1  0.701181  0.609321  0.189325  1
  H  H15  1  0.622075  0.953129  0.179548  1
  H  H16  1  1.043746  0.297127  0.169876  1
  H  H17  1  1.122075  0.953129  0.179548  1
  H  H18  1  0.543746  0.297127  0.169876  1
  H  H19  1  0.937862  0.577227  0.218625  1
  H  H20  1  0.437862  0.577227  0.218625  1
  H  H21  1  0.358902  0.921218  0.208853  1
  H  H22  1  0.780186  0.265143  0.199117  1
  H  H23  1  0.858902  0.921218  0.208853  1
  H  H24  1  0.280186  0.265143  0.199117  1
  H  H25  1  0.674502  0.545188  0.247919  1
  H  H26  1  1.174502  0.545188  0.247919  1
  H  H27  1  1.095578  0.889191  0.238151  1
  H  H28  1  0.516739  0.233173  0.228397  1
  H  H29  1  0.595578  0.889191  0.238151  1
  H  H30  1  1.016739  0.233173  0.228397  1
  H  H31  1  0.411137  0.513162  0.277211  1
  H  H32  1  0.911137  0.513162  0.277211  1
  H  H33  1  0.832241  0.857169  0.267446  1
  H  H34  1  1.253369  0.201166  0.257685  1
  H  H35  1  0.332241  0.857169  0.267446  1
  H  H36  1  0.753369  0.201166  0.257685  1
  H  H37  1  1.147778  0.481141  0.306504  1
  H  H38  1  0.647778  0.481141  0.306504  1
  H  H39  1  0.568892  0.825148  0.296739  1
  H  H40  1  0.990012  0.169151  0.286976  1
  H  H41  1  1.068892  0.825148  0.296739  1
  H  H42  1  0.490012  0.169151  0.286976  1
  H  H43  1  0.884422  0.449121  0.335796  1
  H  H44  1  0.384422  0.449121  0.335796  1
  H  H45  1  0.305539  0.793127  0.326032  1
  H  H46  1  0.726656  0.137133  0.316268  1
  H  H47  1  0.805539  0.793127  0.326032  1
  H  H48  1  1.226656  0.137133  0.316268  1
  H  H49  1  0.621067  0.417103  0.365087  1
  H  H50  1  1.121067  0.417103  0.365087  1
  H  H51  1  1.042186  0.761106  0.355324  1
  H  H52  1  0.463300  1.105113  0.345560  1
  H  H53  1  0.542186  0.761106  0.355324  1
  H  H54  1  0.963300  1.105113  0.345560  1
  H  H55  1  0.357709  0.385088  0.394378  1
  H  H56  1  0.857709  0.385088  0.394378  1
  H  H57  1  0.778837  0.729085  0.384617  1
  H  H58  1  1.199941  1.073092  0.374852  1
  H  H59  1  0.278837  0.729085  0.384617  1
  H  H60  1  0.699941  1.073092  0.374852  1
  H  H61  1  1.094339  0.353081  0.423667  1
  H  H62  1  0.594339  0.353081  0.423667  1
  H  H63  1  0.515500  0.697064  0.413912  1
  H  H64  1  0.936576  1.041066  0.404144  1
  H  H65  1  1.015500  0.697064  0.413912  1
  H  H66  1  0.436576  1.041066  0.404144  1
  H  H67  1  0.830892  0.321111  0.452947  1
  H  H68  1  0.330892  0.321111  0.452947  1
  H  H69  1  1.252176  0.665036  0.443210  1
  H  H70  1  0.673216  1.009027  0.433438  1
  H  H71  1  0.752176  0.665036  0.443210  1
  H  H72  1  1.173216  1.009027  0.433438  1
  H  H73  1  0.567332  0.289127  0.482187  1
  H  H74  1  1.067332  0.289127  0.482187  1
  H  H75  1  0.989003  0.633125  0.472516  1
  H  H76  1  0.409897  0.976933  0.462738  1
  H  H77  1  0.489003  0.633125  0.472516  1
  H  H78  1  0.909897  0.976933  0.462738  1
  H  H79  1  0.303915  0.258788  0.511233  1
  H  H80  1  0.803915  0.258788  0.511233  1
  H  H81  1  0.725586  0.600633  0.501742  1
  H  H82  1  1.146620  0.945088  0.492030  1
  H  H83  1  1.225586  0.600633  0.501742  1
  H  H84  1  0.646620  0.945088  0.492030  1
  H  H85  1  1.032077  0.220299  0.540666  1
  H  H86  1  0.532077  0.220299  0.540666  1
  H  H87  1  0.461607  0.572080  0.531412  1
  H  H88  1  0.884659  0.912200  0.521295  1
  H  H89  1  0.961607  0.572080  0.531412  1
  H  H90  1  0.384659  0.912200  0.521295  1
