# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.89589811
_cell_length_b   17.21668937
_cell_length_c   47.97430091
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.37696640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H960
_cell_volume   20464.0348427
_cell_formula_units_Z   480
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  1.105474  0.023179  0.302156  1
  H  H2  1  0.772141  0.023179  0.302156  1
  H  H3  1  0.949697  0.046808  0.282255  1
  H  H4  1  0.438808  0.023179  0.302156  1
  H  H5  1  0.616363  0.046808  0.282255  1
  H  H6  1  0.938808  0.523179  0.302156  1
  H  H7  1  1.116363  0.546808  0.282255  1
  H  H8  1  0.283030  0.046808  0.282255  1
  H  H9  1  0.605474  0.523179  0.302156  1
  H  H10  1  0.783030  0.546808  0.282255  1
  H  H11  1  0.272141  0.523179  0.302156  1
  H  H12  1  0.449697  0.546808  0.282255  1
  H  H13  1  1.085023  0.151310  0.299817  1
  H  H14  1  0.751690  0.151310  0.299817  1
  H  H15  1  0.929700  0.184655  0.279573  1
  H  H16  1  0.418356  0.151310  0.299817  1
  H  H17  1  0.596366  0.184655  0.279573  1
  H  H18  1  0.918356  0.651310  0.299817  1
  H  H19  1  1.096366  0.684655  0.279573  1
  H  H20  1  0.263033  0.184655  0.279573  1
  H  H21  1  0.585023  0.651310  0.299817  1
  H  H22  1  0.763033  0.684655  0.279573  1
  H  H23  1  0.251690  0.651310  0.299817  1
  H  H24  1  0.429700  0.684655  0.279573  1
  H  H25  1  1.069810  0.282061  0.296953  1
  H  H26  1  0.736477  0.282061  0.296953  1
  H  H27  1  0.890676  0.251122  0.318739  1
  H  H28  1  0.403144  0.282061  0.296953  1
  H  H29  1  0.557342  0.251122  0.318739  1
  H  H30  1  0.903144  0.782061  0.296953  1
  H  H31  1  1.057342  0.751122  0.318739  1
  H  H32  1  0.224009  0.251122  0.318739  1
  H  H33  1  0.569810  0.782061  0.296953  1
  H  H34  1  0.724009  0.751122  0.318739  1
  H  H35  1  0.236477  0.782061  0.296953  1
  H  H36  1  0.390676  0.751122  0.318739  1
  H  H37  1  1.048965  0.414969  0.294285  1
  H  H38  1  0.715632  0.414969  0.294285  1
  H  H39  1  0.870167  0.378242  0.313657  1
  H  H40  1  0.382299  0.414969  0.294285  1
  H  H41  1  0.536833  0.378242  0.313657  1
  H  H42  1  0.882299  0.914969  0.294285  1
  H  H43  1  1.036833  0.878242  0.313657  1
  H  H44  1  0.203500  0.378242  0.313657  1
  H  H45  1  0.548965  0.914969  0.294285  1
  H  H46  1  0.703500  0.878242  0.313657  1
  H  H47  1  0.215632  0.914969  0.294285  1
  H  H48  1  0.370167  0.878242  0.313657  1
  H  H49  1  1.018357  0.007089  0.313334  1
  H  H50  1  0.685024  0.007089  0.313334  1
  H  H51  1  0.858570  0.047152  0.291954  1
  H  H52  1  0.351690  0.007089  0.313334  1
  H  H53  1  0.525236  0.047152  0.291954  1
  H  H54  1  0.851690  0.507089  0.313334  1
  H  H55  1  1.025236  0.547152  0.291954  1
  H  H56  1  0.191903  0.047152  0.291954  1
  H  H57  1  0.518357  0.507089  0.313334  1
  H  H58  1  0.691903  0.547152  0.291954  1
  H  H59  1  0.185024  0.507089  0.313334  1
  H  H60  1  0.358570  0.547152  0.291954  1
  H  H61  1  0.997979  0.135838  0.310578  1
  H  H62  1  0.664646  0.135838  0.310578  1
  H  H63  1  0.837359  0.181126  0.289495  1
  H  H64  1  0.331313  0.135838  0.310578  1
  H  H65  1  0.504026  0.181126  0.289495  1
  H  H66  1  0.831313  0.635838  0.310578  1
  H  H67  1  1.004026  0.681126  0.289495  1
  H  H68  1  0.170692  0.181126  0.289495  1
  H  H69  1  0.497979  0.635838  0.310578  1
  H  H70  1  0.670692  0.681126  0.289495  1
  H  H71  1  1.164646  0.635838  0.310578  1
  H  H72  1  0.337359  0.681126  0.289495  1
  H  H73  1  0.979996  0.265745  0.307390  1
  H  H74  1  0.646663  0.265745  0.307390  1
  H  H75  1  0.802297  0.234795  0.329861  1
  H  H76  1  0.313329  0.265745  0.307390  1
  H  H77  1  0.468964  0.234795  0.329861  1
  H  H78  1  0.813329  0.765745  0.307390  1
  H  H79  1  0.968964  0.734795  0.329861  1
  H  H80  1  1.135631  0.234795  0.329861  1
  H  H81  1  0.479996  0.765745  0.307390  1
  H  H82  1  0.635631  0.734795  0.329861  1
  H  H83  1  1.146663  0.765745  0.307390  1
  H  H84  1  0.302297  0.734795  0.329861  1
  H  H85  1  0.959612  0.394491  0.304590  1
  H  H86  1  0.626278  0.394491  0.304590  1
  H  H87  1  0.783613  0.363355  0.325700  1
  H  H88  1  0.292945  0.394491  0.304590  1
  H  H89  1  0.450280  0.363355  0.325700  1
  H  H90  1  0.792945  0.894491  0.304590  1
  H  H91  1  0.950280  0.863355  0.325700  1
  H  H92  1  1.116946  0.363355  0.325700  1
  H  H93  1  0.459612  0.894491  0.304590  1
  H  H94  1  0.616946  0.863355  0.325700  1
  H  H95  1  1.126278  0.894491  0.304590  1
  H  H96  1  0.283613  0.863355  0.325700  1
  H  H97  1  1.086917  -0.040388  0.344636  1
  H  H98  1  0.753584  -0.040388  0.344636  1
  H  H99  1  0.929559  -0.007839  0.324396  1
  H  H100  1  0.420250  -0.040388  0.344636  1
  H  H101  1  0.596226  -0.007839  0.324396  1
  H  H102  1  0.920250  0.459612  0.344636  1
  H  H103  1  1.096226  0.492161  0.324396  1
  H  H104  1  0.262892  -0.007839  0.324396  1
  H  H105  1  0.586917  0.459612  0.344636  1
  H  H106  1  0.762892  0.492161  0.324396  1
  H  H107  1  0.253584  0.459612  0.344636  1
  H  H108  1  0.429559  0.492161  0.324396  1
  H  H109  1  1.067162  0.088821  0.342394  1
  H  H110  1  0.733828  0.088821  0.342394  1
  H  H111  1  0.909420  0.121328  0.321423  1
  H  H112  1  0.400495  0.088821  0.342394  1
  H  H113  1  0.576087  0.121328  0.321423  1
  H  H114  1  0.900495  0.588821  0.342394  1
  H  H115  1  1.076087  0.621328  0.321423  1
  H  H116  1  0.242754  0.121328  0.321423  1
  H  H117  1  0.567162  0.588821  0.342394  1
  H  H118  1  0.742754  0.621328  0.321423  1
  H  H119  1  0.233828  0.588821  0.342394  1
  H  H120  1  0.409420  0.621328  0.321423  1
  H  H121  1  1.047427  0.218042  0.339587  1
  H  H122  1  0.714094  0.218042  0.339587  1
  H  H123  1  0.871269  0.186493  0.360582  1
  H  H124  1  0.380761  0.218042  0.339587  1
  H  H125  1  0.537936  0.186493  0.360582  1
  H  H126  1  0.880761  0.718042  0.339587  1
  H  H127  1  1.037936  0.686493  0.360582  1
  H  H128  1  0.204602  0.186493  0.360582  1
  H  H129  1  0.547427  0.718042  0.339587  1
  H  H130  1  0.704602  0.686493  0.360582  1
  H  H131  1  0.214094  0.718042  0.339587  1
  H  H132  1  0.371269  0.686493  0.360582  1
  H  H133  1  1.028353  0.347516  0.336739  1
  H  H134  1  0.695020  0.347516  0.336739  1
  H  H135  1  0.851826  0.315883  0.357857  1
  H  H136  1  0.361687  0.347516  0.336739  1
  H  H137  1  0.518493  0.315883  0.357857  1
  H  H138  1  0.861687  0.847516  0.336739  1
  H  H139  1  1.018493  0.815883  0.357857  1
  H  H140  1  0.185159  0.315883  0.357857  1
  H  H141  1  0.528353  0.847516  0.336739  1
  H  H142  1  0.685159  0.815883  0.357857  1
  H  H143  1  0.195020  0.847516  0.336739  1
  H  H144  1  0.351826  0.815883  0.357857  1
  H  H145  1  0.998928  0.943981  0.355162  1
  H  H146  1  0.665595  0.943981  0.355162  1
  H  H147  1  0.841367  -0.023100  0.334189  1
  H  H148  1  0.332262  0.943981  0.355162  1
  H  H149  1  0.508034  -0.023100  0.334189  1
  H  H150  1  0.832262  0.443981  0.355162  1
  H  H151  1  1.008034  0.476900  0.334189  1
  H  H152  1  0.174700  -0.023100  0.334189  1
  H  H153  1  0.498928  0.443981  0.355162  1
  H  H154  1  0.674700  0.476900  0.334189  1
  H  H155  1  1.165595  0.443981  0.355162  1
  H  H156  1  0.341367  0.476900  0.334189  1
  H  H157  1  0.978901  0.073300  0.352601  1
  H  H158  1  0.645568  0.073300  0.352601  1
  H  H159  1  0.821488  0.106028  0.331906  1
  H  H160  1  0.312234  0.073300  0.352601  1
  H  H161  1  0.488155  0.106028  0.331906  1
  H  H162  1  0.812234  0.573300  0.352601  1
  H  H163  1  0.988155  0.606028  0.331906  1
  H  H164  1  1.154822  0.106028  0.331906  1
  H  H165  1  0.478901  0.573300  0.352601  1
  H  H166  1  0.654822  0.606028  0.331906  1
  H  H167  1  1.145568  0.573300  0.352601  1
  H  H168  1  0.321488  0.606028  0.331906  1
  H  H169  1  0.959389  0.202351  0.349785  1
  H  H170  1  0.626055  0.202351  0.349785  1
  H  H171  1  0.782823  0.170384  0.371148  1
  H  H172  1  0.292722  0.202351  0.349785  1
  H  H173  1  0.449489  0.170384  0.371148  1
  H  H174  1  0.792722  0.702351  0.349785  1
  H  H175  1  0.949489  0.670384  0.371148  1
  H  H176  1  1.116156  0.170384  0.371148  1
  H  H177  1  0.459389  0.702351  0.349785  1
  H  H178  1  0.616156  0.670384  0.371148  1
  H  H179  1  1.126055  0.702351  0.349785  1
  H  H180  1  0.282823  0.670384  0.371148  1
  H  H181  1  0.939896  0.331468  0.347101  1
  H  H182  1  0.606563  0.331468  0.347101  1
  H  H183  1  0.763305  0.299694  0.368349  1
  H  H184  1  0.273230  0.331468  0.347101  1
  H  H185  1  0.429972  0.299694  0.368349  1
  H  H186  1  0.773230  0.831468  0.347101  1
  H  H187  1  0.929972  0.799694  0.368349  1
  H  H188  1  1.096639  0.299694  0.368349  1
  H  H189  1  0.439896  0.831468  0.347101  1
  H  H190  1  0.596639  0.799694  0.368349  1
  H  H191  1  1.106563  0.831468  0.347101  1
  H  H192  1  0.263305  0.799694  0.368349  1
  H  H193  1  1.067445  0.896340  0.386680  1
  H  H194  1  0.734112  0.896340  0.386680  1
  H  H195  1  0.910410  0.928207  0.365642  1
  H  H196  1  0.400778  0.896340  0.386680  1
  H  H197  1  0.577077  0.928207  0.365642  1
  H  H198  1  0.900778  0.396340  0.386680  1
  H  H199  1  1.077077  0.428207  0.365642  1
  H  H200  1  0.243744  0.928207  0.365642  1
  H  H201  1  0.567445  0.396340  0.386680  1
  H  H202  1  0.743744  0.428207  0.365642  1
  H  H203  1  0.234112  0.396340  0.386680  1
  H  H204  1  0.410410  0.428207  0.365642  1
  H  H205  1  1.047686  0.025204  0.384036  1
  H  H206  1  0.714352  0.025204  0.384036  1
  H  H207  1  0.890625  0.057424  0.363142  1
  H  H208  1  0.381019  0.025204  0.384036  1
  H  H209  1  0.557291  0.057424  0.363142  1
  H  H210  1  0.881019  0.525204  0.384036  1
  H  H211  1  1.057291  0.557424  0.363142  1
  H  H212  1  0.223958  0.057424  0.363142  1
  H  H213  1  0.547686  0.525204  0.384036  1
  H  H214  1  0.723958  0.557424  0.363142  1
  H  H215  1  0.214352  0.525204  0.384036  1
  H  H216  1  0.390625  0.557424  0.363142  1
  H  H217  1  1.027967  0.154382  0.381436  1
  H  H218  1  0.694634  0.154382  0.381436  1
  H  H219  1  0.851669  0.122386  0.402464  1
  H  H220  1  0.361300  0.154382  0.381436  1
  H  H221  1  0.518336  0.122386  0.402464  1
  H  H222  1  0.861300  0.654382  0.381436  1
  H  H223  1  1.018336  0.622386  0.402464  1
  H  H224  1  0.185003  0.122386  0.402464  1
  H  H225  1  0.527967  0.654382  0.381436  1
  H  H226  1  0.685003  0.622386  0.402464  1
  H  H227  1  0.194634  0.654382  0.381436  1
  H  H228  1  0.351669  0.622386  0.402464  1
  H  H229  1  1.008431  0.283418  0.378699  1
  H  H230  1  0.675097  0.283418  0.378699  1
  H  H231  1  0.832064  0.251486  0.399783  1
  H  H232  1  0.341764  0.283418  0.378699  1
  H  H233  1  0.498731  0.251486  0.399783  1
  H  H234  1  0.841764  0.783418  0.378699  1
  H  H235  1  0.998731  0.751486  0.399783  1
  H  H236  1  1.165397  0.251486  0.399783  1
  H  H237  1  0.508431  0.783418  0.378699  1
  H  H238  1  0.665397  0.751486  0.399783  1
  H  H239  1  0.175097  0.783418  0.378699  1
  H  H240  1  0.332064  0.751486  0.399783  1
  H  H241  1  0.979136  0.880430  0.397183  1
  H  H242  1  0.645802  0.880430  0.397183  1
  H  H243  1  0.822228  0.912310  0.376069  1
  H  H244  1  0.312469  0.880430  0.397183  1
  H  H245  1  0.488895  0.912310  0.376069  1
  H  H246  1  0.812469  0.380430  0.397183  1
  H  H247  1  0.988895  0.412310  0.376069  1
  H  H248  1  1.155562  0.912310  0.376069  1
  H  H249  1  0.479136  0.380430  0.397183  1
  H  H250  1  0.655562  0.412310  0.376069  1
  H  H251  1  1.145802  0.380430  0.397183  1
  H  H252  1  0.322228  0.412310  0.376069  1
  H  H253  1  0.959481  0.009306  0.394482  1
  H  H254  1  0.626148  0.009306  0.394482  1
  H  H255  1  0.802562  0.041219  0.373558  1
  H  H256  1  0.292815  0.009306  0.394482  1
  H  H257  1  0.469229  0.041219  0.373558  1
  H  H258  1  0.792815  0.509306  0.394482  1
  H  H259  1  0.969229  0.541219  0.373558  1
  H  H260  1  1.135896  0.041219  0.373558  1
  H  H261  1  0.459481  0.509306  0.394482  1
  H  H262  1  0.635896  0.541219  0.373558  1
  H  H263  1  1.126148  0.509306  0.394482  1
  H  H264  1  0.302562  0.541219  0.373558  1
  H  H265  1  0.939896  0.138395  0.391894  1
  H  H266  1  0.606563  0.138395  0.391894  1
  H  H267  1  0.763438  0.106344  0.412960  1
  H  H268  1  0.273230  0.138395  0.391894  1
  H  H269  1  0.430104  0.106344  0.412960  1
  H  H270  1  0.773230  0.638395  0.391894  1
  H  H271  1  0.930104  0.606344  0.412960  1
  H  H272  1  1.096771  0.106344  0.412960  1
  H  H273  1  0.439896  0.638395  0.391894  1
  H  H274  1  0.596771  0.606344  0.412960  1
  H  H275  1  1.106563  0.638395  0.391894  1
  H  H276  1  0.263438  0.606344  0.412960  1
  H  H277  1  0.920346  0.267424  0.389211  1
  H  H278  1  0.587013  0.267424  0.389211  1
  H  H279  1  0.743811  0.235462  0.410332  1
  H  H280  1  0.253679  0.267424  0.389211  1
  H  H281  1  0.410477  0.235462  0.410332  1
  H  H282  1  0.753679  0.767424  0.389211  1
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  H  H864  1  1.127366  0.351802  0.661779  1
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  H  H877  1  0.910263  0.578218  0.678785  1
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  H  H879  1  0.754628  0.609168  0.656315  1
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  H  H884  1  1.087961  0.609168  0.656315  1
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  H  H889  1  0.892279  0.708124  0.675597  1
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  H  H901  1  0.871902  0.836873  0.672841  1
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  H  H903  1  0.698356  0.796810  0.694221  1
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  H  H915  1  0.686759  0.465721  0.672518  1
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  H  H959  1  0.951451  0.320784  0.684019  1
  H  H960  1  1.107229  0.297155  0.703921  1
