# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26825027
_cell_length_b   7.26617849
_cell_length_c   48.10527900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H128
_cell_volume   2489.22577528
_cell_formula_units_Z   64
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  0.619160  0.869591  0.294391  1
  H  H2  1  0.119160  0.369591  0.294391  1
  H  H3  1  0.028459  0.778878  0.323992  1
  H  H4  1  0.528459  0.278878  0.323992  1
  H  H5  1  0.869160  0.619591  0.294391  1
  H  H6  1  0.369160  0.119591  0.294391  1
  H  H7  1  0.278459  0.528878  0.323992  1
  H  H8  1  0.778459  0.028878  0.323992  1
  H  H9  1  0.574778  0.575191  0.309687  1
  H  H10  1  0.074778  0.075191  0.309687  1
  H  H11  1  0.170474  0.670872  0.280370  1
  H  H12  1  0.670474  0.170872  0.280370  1
  H  H13  1  0.920474  0.920872  0.280370  1
  H  H14  1  0.420474  0.420872  0.280370  1
  H  H15  1  0.324778  0.825191  0.309687  1
  H  H16  1  0.824778  0.325191  0.309687  1
  H  H17  1  0.440712  0.691146  0.352048  1
  H  H18  1  0.940712  0.191146  0.352048  1
  H  H19  1  0.855412  0.605849  0.379910  1
  H  H20  1  0.355412  0.105849  0.379910  1
  H  H21  1  0.690712  0.441146  0.352048  1
  H  H22  1  0.190712  0.941146  0.352048  1
  H  H23  1  0.105412  0.355849  0.379910  1
  H  H24  1  0.605412  0.855849  0.379910  1
  H  H25  1  0.397838  0.398274  0.366057  1
  H  H26  1  0.897838  0.898274  0.366057  1
  H  H27  1  0.985026  0.485451  0.337975  1
  H  H28  1  0.485026  0.985451  0.337975  1
  H  H29  1  0.735026  0.735451  0.337975  1
  H  H30  1  0.235026  0.235451  0.337975  1
  H  H31  1  0.147838  0.648274  0.366057  1
  H  H32  1  0.647838  0.148274  0.366057  1
  H  H33  1  0.271905  0.522336  0.407642  1
  H  H34  1  0.771905  0.022336  0.407642  1
  H  H35  1  0.688602  0.439024  0.435348  1
  H  H36  1  0.188602  0.939024  0.435348  1
  H  H37  1  0.521905  0.272336  0.407642  1
  H  H38  1  0.021905  0.772336  0.407642  1
  H  H39  1  0.938602  0.189024  0.435348  1
  H  H40  1  0.438602  0.689024  0.435348  1
  H  H41  1  0.230287  0.230714  0.421473  1
  H  H42  1  0.730287  0.730714  0.421473  1
  H  H43  1  0.813590  0.314025  0.393821  1
  H  H44  1  0.313590  0.814025  0.393821  1
  H  H45  1  0.563590  0.564025  0.393821  1
  H  H46  1  0.063590  0.064025  0.393821  1
  H  H47  1  0.980287  0.480714  0.421473  1
  H  H48  1  0.480287  0.980714  0.421473  1
  H  H49  1  0.105186  0.355599  0.463040  1
  H  H50  1  0.605186  0.855599  0.463040  1
  H  H51  1  0.521751  0.272155  0.490755  1
  H  H52  1  0.021751  0.772155  0.490755  1
  H  H53  1  0.355186  0.105599  0.463040  1
  H  H54  1  0.855186  0.605599  0.463040  1
  H  H55  1  0.771751  0.022155  0.490755  1
  H  H56  1  0.271751  0.522155  0.490755  1
  H  H57  1  0.063468  0.063877  0.476902  1
  H  H58  1  0.563468  0.563877  0.476902  1
  H  H59  1  0.646894  0.147311  0.449189  1
  H  H60  1  0.146894  0.647311  0.449189  1
  H  H61  1  0.396894  0.397311  0.449189  1
  H  H62  1  0.896894  0.897311  0.449189  1
  H  H63  1  0.813468  0.313877  0.476902  1
  H  H64  1  0.313468  0.813877  0.476902  1
  H  H65  1  0.938324  0.188720  0.518462  1
  H  H66  1  0.438324  0.688720  0.518462  1
  H  H67  1  0.354899  0.105286  0.546175  1
  H  H68  1  0.854899  0.605286  0.546175  1
  H  H69  1  0.188324  0.938720  0.518462  1
  H  H70  1  0.688324  0.438720  0.518462  1
  H  H71  1  0.604899  0.855286  0.546175  1
  H  H72  1  0.104899  0.355286  0.546175  1
  H  H73  1  0.896606  0.896998  0.532324  1
  H  H74  1  0.396606  0.396998  0.532324  1
  H  H75  1  0.480042  0.980442  0.504609  1
  H  H76  1  0.980042  0.480442  0.504609  1
  H  H77  1  0.230042  0.230442  0.504609  1
  H  H78  1  0.730042  0.730442  0.504609  1
  H  H79  1  0.646606  0.146998  0.532324  1
  H  H80  1  0.146606  0.646998  0.532324  1
  H  H81  1  0.771505  0.021884  0.573891  1
  H  H82  1  0.271505  0.521884  0.573891  1
  H  H83  1  0.188202  0.938572  0.601543  1
  H  H84  1  0.688202  0.438572  0.601543  1
  H  H85  1  0.021505  0.771884  0.573891  1
  H  H86  1  0.521505  0.271884  0.573891  1
  H  H87  1  0.438202  0.688572  0.601543  1
  H  H88  1  0.938202  0.188572  0.601543  1
  H  H89  1  0.729888  0.730262  0.587722  1
  H  H90  1  0.229888  0.230262  0.587722  1
  H  H91  1  0.313190  0.813573  0.560016  1
  H  H92  1  0.813190  0.313573  0.560016  1
  H  H93  1  0.063190  0.063573  0.560016  1
  H  H94  1  0.563190  0.563573  0.560016  1
  H  H95  1  0.479888  0.980262  0.587722  1
  H  H96  1  0.979888  0.480262  0.587722  1
  H  H97  1  0.603954  0.854324  0.629306  1
  H  H98  1  0.103954  0.354324  0.629306  1
  H  H99  1  0.016766  0.767146  0.657389  1
  H  H100  1  0.516766  0.267146  0.657389  1
  H  H101  1  0.853954  0.604324  0.629306  1
  H  H102  1  0.353954  0.104324  0.629306  1
  H  H103  1  0.266766  0.517146  0.657389  1
  H  H104  1  0.766766  0.017146  0.657389  1
  H  H105  1  0.561080  0.561451  0.643316  1
  H  H106  1  0.061080  0.061451  0.643316  1
  H  H107  1  0.146380  0.646749  0.615454  1
  H  H108  1  0.646380  0.146749  0.615454  1
  H  H109  1  0.896380  0.896749  0.615454  1
  H  H110  1  0.396380  0.396749  0.615454  1
  H  H111  1  0.311080  0.811451  0.643316  1
  H  H112  1  0.811080  0.311451  0.643316  1
  H  H113  1  0.427015  0.677407  0.685677  1
  H  H114  1  0.927015  0.177407  0.685677  1
  H  H115  1  0.831318  0.581725  0.714994  1
  H  H116  1  0.331318  0.081725  0.714994  1
  H  H117  1  0.677015  0.427407  0.685677  1
  H  H118  1  0.177015  0.927407  0.685677  1
  H  H119  1  0.081318  0.331725  0.714994  1
  H  H120  1  0.581318  0.831725  0.714994  1
  H  H121  1  0.382632  0.383006  0.700973  1
  H  H122  1  0.882632  0.883006  0.700973  1
  H  H123  1  0.973333  0.473719  0.671372  1
  H  H124  1  0.473333  0.973719  0.671372  1
  H  H125  1  0.723333  0.723719  0.671372  1
  H  H126  1  0.223333  0.223719  0.671372  1
  H  H127  1  0.132632  0.633006  0.700973  1
  H  H128  1  0.632632  0.133006  0.700973  1
