# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09822262
_cell_length_b   6.09659043
_cell_length_c   54.59445415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H99
_cell_volume   2019.5584174
_cell_formula_units_Z   49
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  0.891698  0.230371  0.229505  1
  H  H2  1  0.172350  0.908939  0.229767  1
  H  H3  1  0.262218  0.276556  0.217163  1
  H  H4  1  0.616849  0.565332  0.230342  1
  H  H5  1  0.538427  0.942172  0.216580  1
  H  H6  1  0.544615  0.215597  0.245530  1
  H  H7  1  0.983356  0.600340  0.218126  1
  H  H8  1  0.818303  0.875697  0.244662  1
  H  H9  1  0.272711  0.550498  0.246336  1
  H  H10  1  0.841473  0.157091  0.272006  1
  H  H11  1  0.108357  0.826152  0.271626  1
  H  H12  1  0.189686  0.186821  0.258266  1
  H  H13  1  0.573357  0.492858  0.272965  1
  H  H14  1  0.462042  0.855068  0.257972  1
  H  H15  1  0.490348  0.129887  0.285845  1
  H  H16  1  0.920301  0.512453  0.259037  1
  H  H17  1  0.756520  0.796776  0.285305  1
  H  H18  1  0.224554  0.460135  0.286601  1
  H  H19  1  0.790169  0.071848  0.312869  1
  H  H20  1  1.052838  0.739809  0.312354  1
  H  H21  1  0.140549  0.100722  0.299236  1
  H  H22  1  0.526391  0.403320  0.313646  1
  H  H23  1  0.403580  0.769510  0.298752  1
  H  H24  1  0.439243  1.042985  0.326553  1
  H  H25  1  0.875962  0.431457  0.299989  1
  H  H26  1  0.701269  0.711198  0.325904  1
  H  H27  1  0.176103  0.373705  0.327353  1
  H  H28  1  0.737375  0.985020  0.353707  1
  H  H29  1  0.999048  0.653396  0.352998  1
  H  H30  1  0.088262  1.013958  0.340098  1
  H  H31  1  0.475210  0.316055  0.354507  1
  H  H32  1  0.350210  0.682303  0.339418  1
  H  H33  1  0.386326  0.955813  0.367307  1
  H  H34  1  0.825649  0.345040  0.340879  1
  H  H35  1  0.647961  0.624495  0.366547  1
  H  H36  1  0.124424  0.286792  0.368133  1
  H  H37  1  0.684405  0.897636  0.394469  1
  H  H38  1  0.945885  0.566410  0.393674  1
  H  H39  1  1.035357  0.926755  0.380887  1
  H  H40  1  0.422876  0.228621  0.395291  1
  H  H41  1  0.296917  0.595450  0.380100  1
  H  H42  1  0.333425  0.868447  0.408052  1
  H  H43  1  0.773680  0.257817  0.381698  1
  H  H44  1  0.594867  0.537313  0.407235  1
  H  H45  1  0.071954  0.199462  0.408887  1
  H  H46  1  0.631491  0.810129  0.435208  1
  H  H47  1  0.892894  0.479064  0.434381  1
  H  H48  1  0.982461  0.839309  0.421631  1
  H  H49  1  1.019093  0.112073  0.449616  1
  H  H50  1  0.243890  0.508186  0.420801  1
  H  H51  1  0.280522  0.780949  0.448786  1
  H  H52  1  0.370088  0.141194  0.436036  1
  H  H53  1  0.541951  0.449903  0.447958  1
  H  H54  1  0.721032  0.170355  0.422459  1
  H  H55  1  0.227626  0.693504  0.489530  1
  H  H56  1  0.489303  0.362441  0.488719  1
  H  H57  1  0.578577  0.722623  0.475948  1
  H  H58  1  0.966066  1.024808  0.490317  1
  H  H59  1  0.840106  0.391637  0.475126  1
  H  H60  1  0.929558  0.751812  0.462365  1
  H  H61  1  0.317098  1.053849  0.476743  1
  H  H62  1  0.191029  0.420796  0.461529  1
  H  H63  1  0.668116  0.082945  0.463182  1
  H  H64  1  0.174721  0.606300  0.530318  1
  H  H65  1  0.437334  0.275218  0.529538  1
  H  H66  1  0.525608  0.635239  0.516710  1
  H  H67  1  0.912773  0.937955  0.530999  1
  H  H68  1  0.787773  0.304204  0.515910  1
  H  H69  1  0.876657  0.664446  0.503110  1
  H  H70  1  0.263935  0.966863  0.517419  1
  H  H71  1  0.138559  0.333467  0.502284  1
  H  H72  1  0.615022  0.995764  0.503870  1
  H  H73  1  0.122433  0.519536  0.571181  1
  H  H74  1  0.387020  0.188801  0.570428  1
  H  H75  1  0.472814  0.548410  0.557548  1
  H  H76  1  0.859402  0.850748  0.571665  1
  H  H77  1  0.736591  0.216939  0.556770  1
  H  H78  1  0.823740  0.577273  0.543864  1
  H  H79  1  0.210145  0.880449  0.558062  1
  H  H80  1  0.086880  0.246553  0.543064  1
  H  H81  1  0.561714  0.909061  0.544513  1
  H  H82  1  0.073296  0.433438  0.612151  1
  H  H83  1  0.342681  0.107805  0.611380  1
  H  H84  1  0.421510  0.463167  0.598411  1
  H  H85  1  0.800941  0.765191  0.612445  1
  H  H86  1  0.689626  0.127401  0.597452  1
  H  H87  1  0.772635  0.490372  0.584572  1
  H  H88  1  0.154626  0.794107  0.598790  1
  H  H89  1  1.038429  0.160123  0.583816  1
  H  H90  1  0.506462  0.823482  0.585112  1
  H  H91  1  1.000765  0.343702  0.653254  1
  H  H92  1  0.279627  1.019919  0.652291  1
  H  H93  1  0.371285  0.389887  0.640912  1
  H  H94  1  0.724556  0.678086  0.653837  1
  H  H95  1  0.646134  1.054927  0.640075  1
  H  H96  1  0.718368  0.404662  0.624887  1
  H  H97  1  0.090633  0.711319  0.640650  1
  H  H98  1  0.990271  0.069760  0.624081  1
  H  H99  1  0.444680  0.744561  0.625755  1
