# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86289799
_cell_length_b   7.54536940
_cell_length_c   46.28659632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.29990676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H114
_cell_volume   2461.85496263
_cell_formula_units_Z   57
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  0.917902  0.736213  0.284231  1
  H  H2  1  0.227668  0.771975  0.298246  1
  H  H3  1  0.535526  0.796756  0.312108  1
  H  H4  1  0.417902  0.236213  0.284231  1
  H  H5  1  0.727668  0.271975  0.298246  1
  H  H6  1  0.035526  0.296756  0.312108  1
  H  H7  1  0.628748  0.533575  0.306698  1
  H  H8  1  0.937276  0.556210  0.322315  1
  H  H9  1  0.243239  0.582793  0.335989  1
  H  H10  1  0.128748  0.033575  0.306698  1
  H  H11  1  0.437276  0.056210  0.322315  1
  H  H12  1  0.743239  0.082793  0.335989  1
  H  H13  1  0.340214  0.329906  0.328900  1
  H  H14  1  0.642174  0.345715  0.344304  1
  H  H15  1  0.945429  0.367452  0.358943  1
  H  H16  1  0.840214  0.829906  0.328900  1
  H  H17  1  0.142174  0.845715  0.344304  1
  H  H18  1  0.445429  0.867452  0.358943  1
  H  H19  1  0.048501  0.115287  0.351896  1
  H  H20  1  0.346542  0.134460  0.366301  1
  H  H21  1  0.648118  0.154754  0.381185  1
  H  H22  1  0.548501  0.615287  0.351896  1
  H  H23  1  0.846542  0.634460  0.366301  1
  H  H24  1  0.148118  0.654754  0.381185  1
  H  H25  1  0.751120  0.899649  0.374280  1
  H  H26  1  0.050353  0.919386  0.388879  1
  H  H27  1  0.352038  0.942368  0.403621  1
  H  H28  1  0.251120  0.399649  0.374280  1
  H  H29  1  0.550353  0.419386  0.388879  1
  H  H30  1  0.852038  0.442368  0.403621  1
  H  H31  1  0.453607  0.683861  0.396760  1
  H  H32  1  0.754312  0.705235  0.411354  1
  H  H33  1  0.056707  0.728742  0.426271  1
  H  H34  1  0.953607  0.183861  0.396760  1
  H  H35  1  0.254312  0.205235  0.411354  1
  H  H36  1  0.556707  0.228742  0.426271  1
  H  H37  1  0.156911  0.469922  0.419055  1
  H  H38  1  0.458231  0.491265  0.433929  1
  H  H39  1  0.760867  0.515349  0.448822  1
  H  H40  1  0.656911  0.969922  0.419055  1
  H  H41  1  0.958231  0.991265  0.433929  1
  H  H42  1  0.260867  0.015349  0.448822  1
  H  H43  1  0.860653  0.256109  0.441529  1
  H  H44  1  0.162166  0.278041  0.456374  1
  H  H45  1  0.464808  0.301620  0.471378  1
  H  H46  1  0.360653  0.756109  0.441529  1
  H  H47  1  0.662166  0.778041  0.456374  1
  H  H48  1  0.964808  0.801620  0.471378  1
  H  H49  1  0.564559  0.041829  0.464050  1
  H  H50  1  0.866241  0.064603  0.478907  1
  H  H51  1  0.168608  0.088129  0.493843  1
  H  H52  1  0.064559  0.541829  0.464050  1
  H  H53  1  0.366241  0.564603  0.478907  1
  H  H54  1  0.668608  0.588129  0.493843  1
  H  H55  1  0.268347  0.827837  0.486558  1
  H  H56  1  0.570392  0.851034  0.501458  1
  H  H57  1  0.872436  0.874231  0.516358  1
  H  H58  1  0.768347  0.327837  0.486558  1
  H  H59  1  0.070392  0.351034  0.501458  1
  H  H60  1  0.372436  0.374231  0.516358  1
  H  H61  1  0.972175  0.613940  0.509073  1
  H  H62  1  0.274542  0.637465  0.524009  1
  H  H63  1  0.576224  0.660239  0.538866  1
  H  H64  1  0.472175  0.113940  0.509073  1
  H  H65  1  0.774542  0.137465  0.524009  1
  H  H66  1  0.076224  0.160239  0.538866  1
  H  H67  1  0.675975  0.400449  0.531538  1
  H  H68  1  -0.021382  0.424028  0.546543  1
  H  H69  1  0.280131  0.445959  0.561387  1
  H  H70  1  0.175975  0.900449  0.531538  1
  H  H71  1  0.478618  0.924028  0.546543  1
  H  H72  1  0.780131  0.945959  0.561387  1
  H  H73  1  0.379916  0.186719  0.554094  1
  H  H74  1  0.682553  0.210804  0.568987  1
  H  H75  1  -0.016128  0.232147  0.583861  1
  H  H76  1  0.879916  0.686719  0.554094  1
  H  H77  1  0.182553  0.710804  0.568987  1
  H  H78  1  0.483872  0.732147  0.583861  1
  H  H79  1  0.084077  0.973327  0.576645  1
  H  H80  1  0.386471  0.996834  0.591562  1
  H  H81  1  0.687177  0.018208  0.606156  1
  H  H82  1  0.584077  0.473327  0.576645  1
  H  H83  1  0.886471  0.496834  0.591562  1
  H  H84  1  0.187177  0.518208  0.606156  1
  H  H85  1  0.788745  0.759701  0.599295  1
  H  H86  1  0.090430  0.782683  0.614037  1
  H  H87  1  0.389664  0.802420  0.628636  1
  H  H88  1  0.288745  0.259701  0.599295  1
  H  H89  1  0.590430  0.282683  0.614037  1
  H  H90  1  0.889664  0.302420  0.628636  1
  H  H91  1  0.492666  0.547314  0.621732  1
  H  H92  1  0.794241  0.567609  0.636615  1
  H  H93  1  0.092282  0.586782  0.651021  1
  H  H94  1  -0.007334  0.047314  0.621732  1
  H  H95  1  0.294241  0.067609  0.636615  1
  H  H96  1  0.592282  0.086782  0.651021  1
  H  H97  1  0.195355  0.334617  0.643973  1
  H  H98  1  0.498610  0.356354  0.658612  1
  H  H99  1  0.800570  0.372163  0.674016  1
  H  H100  1  0.695355  0.834617  0.643973  1
  H  H101  1  -0.001390  0.856354  0.658612  1
  H  H102  1  0.300570  0.872163  0.674016  1
  H  H103  1  0.897545  0.119275  0.666927  1
  H  H104  1  0.203508  0.145858  0.680601  1
  H  H105  1  0.512036  0.168494  0.696218  1
  H  H106  1  0.397545  0.619275  0.666927  1
  H  H107  1  0.703508  0.645858  0.680601  1
  H  H108  1  0.012036  0.668494  0.696218  1
  H  H109  1  0.605258  0.905313  0.690808  1
  H  H110  1  0.913115  0.930094  0.704670  1
  H  H111  1  0.222882  0.965856  0.718685  1
  H  H112  1  0.105258  0.405313  0.690808  1
  H  H113  1  0.413115  0.430094  0.704670  1
  H  H114  1  0.722882  0.465856  0.718685  1
