# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60570007
_cell_length_b   9.57571688
_cell_length_c   48.94659523
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   131.16363820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   4447.94365068
_cell_formula_units_Z   56
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  0.326491  0.152982  0.305894  1
  H  H2  1  0.826491  0.152982  0.305894  1
  H  H3  1  0.885385  0.770770  0.337144  1
  H  H4  1  0.385385  0.770770  0.337144  1
  H  H5  1  0.601389  0.702778  0.319106  1
  H  H6  1  0.101389  0.702778  0.319106  1
  H  H7  1  0.042495  0.084990  0.287856  1
  H  H8  1  0.542495  0.084990  0.287856  1
  H  H9  1  0.576491  0.652982  0.305894  1
  H  H10  1  0.076491  0.652982  0.305894  1
  H  H11  1  0.135385  0.270770  0.337144  1
  H  H12  1  0.635385  0.270770  0.337144  1
  H  H13  1  0.351389  0.202778  0.319106  1
  H  H14  1  0.851389  0.202778  0.319106  1
  H  H15  1  0.792495  0.584990  0.287856  1
  H  H16  1  0.292495  0.584990  0.287856  1
  H  H17  1  0.444279  0.388558  0.368394  1
  H  H18  1  0.944279  0.388558  0.368394  1
  H  H19  1  0.003173  0.006346  0.399644  1
  H  H20  1  0.503173  0.006346  0.399644  1
  H  H21  1  0.719177  0.938354  0.381606  1
  H  H22  1  0.219177  0.938354  0.381606  1
  H  H23  1  0.160283  0.320566  0.350356  1
  H  H24  1  0.660283  0.320566  0.350356  1
  H  H25  1  0.694279  0.888558  0.368394  1
  H  H26  1  0.194279  0.888558  0.368394  1
  H  H27  1  0.253173  0.506346  0.399644  1
  H  H28  1  0.753173  0.506346  0.399644  1
  H  H29  1  0.469177  0.438354  0.381606  1
  H  H30  1  0.969177  0.438354  0.381606  1
  H  H31  1  0.910283  0.820566  0.350356  1
  H  H32  1  0.410283  0.820566  0.350356  1
  H  H33  1  0.562067  0.624134  0.430894  1
  H  H34  1  0.062067  0.624134  0.430894  1
  H  H35  1  0.120961  0.241922  0.462144  1
  H  H36  1  0.620961  0.241922  0.462144  1
  H  H37  1  0.836965  0.173930  0.444106  1
  H  H38  1  0.336965  0.173930  0.444106  1
  H  H39  1  0.278071  0.556142  0.412856  1
  H  H40  1  0.778071  0.556142  0.412856  1
  H  H41  1  0.812067  0.124134  0.430894  1
  H  H42  1  0.312067  0.124134  0.430894  1
  H  H43  1  0.370961  0.741922  0.462144  1
  H  H44  1  0.870961  0.741922  0.462144  1
  H  H45  1  0.586965  0.673930  0.444106  1
  H  H46  1  0.086965  0.673930  0.444106  1
  H  H47  1  0.028071  0.056142  0.412856  1
  H  H48  1  0.528071  0.056142  0.412856  1
  H  H49  1  0.679855  0.859710  0.493394  1
  H  H50  1  0.179855  0.859710  0.493394  1
  H  H51  1  0.238749  0.477498  0.524644  1
  H  H52  1  0.738749  0.477498  0.524644  1
  H  H53  1  0.954753  0.409506  0.506606  1
  H  H54  1  0.454753  0.409506  0.506606  1
  H  H55  1  0.395859  0.791718  0.475356  1
  H  H56  1  0.895859  0.791718  0.475356  1
  H  H57  1  0.929855  0.359710  0.493394  1
  H  H58  1  0.429855  0.359710  0.493394  1
  H  H59  1  0.488749  0.977498  0.524644  1
  H  H60  1  0.988749  0.977498  0.524644  1
  H  H61  1  0.704753  0.909506  0.506606  1
  H  H62  1  0.204753  0.909506  0.506606  1
  H  H63  1  0.145859  0.291718  0.475356  1
  H  H64  1  0.645859  0.291718  0.475356  1
  H  H65  1  0.797643  0.095286  0.555894  1
  H  H66  1  0.297643  0.095286  0.555894  1
  H  H67  1  0.356537  0.713074  0.587144  1
  H  H68  1  0.856537  0.713074  0.587144  1
  H  H69  1  0.072541  0.645082  0.569106  1
  H  H70  1  0.572541  0.645082  0.569106  1
  H  H71  1  0.513647  0.027294  0.537856  1
  H  H72  1  0.013647  0.027294  0.537856  1
  H  H73  1  0.047643  0.595286  0.555894  1
  H  H74  1  0.547643  0.595286  0.555894  1
  H  H75  1  0.606537  0.213074  0.587144  1
  H  H76  1  0.106537  0.213074  0.587144  1
  H  H77  1  0.822541  0.145082  0.569106  1
  H  H78  1  0.322541  0.145082  0.569106  1
  H  H79  1  0.263647  0.527294  0.537856  1
  H  H80  1  0.763647  0.527294  0.537856  1
  H  H81  1  0.915431  0.330862  0.618394  1
  H  H82  1  0.415431  0.330862  0.618394  1
  H  H83  1  0.474325  0.948650  0.649644  1
  H  H84  1  0.974325  0.948650  0.649644  1
  H  H85  1  0.190329  0.880658  0.631606  1
  H  H86  1  0.690329  0.880658  0.631606  1
  H  H87  1  0.631435  0.262870  0.600356  1
  H  H88  1  0.131435  0.262870  0.600356  1
  H  H89  1  0.165431  0.830862  0.618394  1
  H  H90  1  0.665431  0.830862  0.618394  1
  H  H91  1  0.724325  0.448650  0.649644  1
  H  H92  1  0.224325  0.448650  0.649644  1
  H  H93  1  0.940329  0.380658  0.631606  1
  H  H94  1  0.440329  0.380658  0.631606  1
  H  H95  1  0.381435  0.762870  0.600356  1
  H  H96  1  0.881435  0.762870  0.600356  1
  H  H97  1  0.033219  0.566438  0.680894  1
  H  H98  1  0.533219  0.566438  0.680894  1
  H  H99  1  0.592113  0.184226  0.712144  1
  H  H100  1  0.092113  0.184226  0.712144  1
  H  H101  1  0.308117  0.116234  0.694106  1
  H  H102  1  0.808117  0.116234  0.694106  1
  H  H103  1  0.749223  0.498446  0.662856  1
  H  H104  1  0.249223  0.498446  0.662856  1
  H  H105  1  0.283219  0.066438  0.680894  1
  H  H106  1  0.783219  0.066438  0.680894  1
  H  H107  1  0.842113  0.684226  0.712144  1
  H  H108  1  0.342113  0.684226  0.712144  1
  H  H109  1  0.058117  0.616234  0.694106  1
  H  H110  1  0.558117  0.616234  0.694106  1
  H  H111  1  0.499223  0.998446  0.662856  1
  H  H112  1  0.999223  0.998446  0.662856  1
