# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844553
_cell_length_b   15.34140479
_cell_length_c   51.43421140
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   3036.70468136
_cell_formula_units_Z   60
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  0.571763  0.506954  0.298504  1
  H  H2  1  0.571763  0.909377  0.359110  1
  H  H3  1  0.571763  0.208165  0.328807  1
  H  H4  1  0.928237  0.558771  0.343958  1
  H  H5  1  0.928237  0.857559  0.313655  1
  H  H6  1  0.928237  0.156348  0.283352  1
  H  H7  1  0.071763  0.569092  0.353012  1
  H  H8  1  0.071763  0.867880  0.322709  1
  H  H9  1  0.071763  0.166669  0.292405  1
  H  H10  1  0.428237  0.517274  0.307557  1
  H  H11  1  0.428237  0.816063  0.277254  1
  H  H12  1  0.428237  0.218486  0.337860  1
  H  H13  1  0.571763  0.409377  0.359110  1
  H  H14  1  0.571763  0.708165  0.328807  1
  H  H15  1  0.571763  0.006954  0.298504  1
  H  H16  1  0.928237  0.357559  0.313655  1
  H  H17  1  0.928237  0.656348  0.283352  1
  H  H18  1  0.928237  0.058771  0.343958  1
  H  H19  1  0.071763  0.367880  0.322709  1
  H  H20  1  0.071763  0.666669  0.292405  1
  H  H21  1  0.071763  0.069092  0.353012  1
  H  H22  1  0.428237  0.316063  0.277254  1
  H  H23  1  0.428237  0.718486  0.337860  1
  H  H24  1  0.428237  0.017274  0.307557  1
  H  H25  1  0.571763  0.610588  0.389413  1
  H  H26  1  0.571763  0.013011  0.450019  1
  H  H27  1  0.571763  0.311799  0.419716  1
  H  H28  1  0.928237  0.662405  0.434867  1
  H  H29  1  0.928237  0.961194  0.404564  1
  H  H30  1  0.928237  0.259982  0.374261  1
  H  H31  1  0.071763  0.672726  0.443921  1
  H  H32  1  0.071763  0.971514  0.413618  1
  H  H33  1  0.071763  0.270303  0.383315  1
  H  H34  1  0.428237  0.620909  0.398466  1
  H  H35  1  0.428237  0.919697  0.368163  1
  H  H36  1  0.428237  0.322120  0.428769  1
  H  H37  1  0.571763  0.513011  0.450019  1
  H  H38  1  0.571763  0.811799  0.419716  1
  H  H39  1  0.571763  0.110588  0.389413  1
  H  H40  1  0.928237  0.461194  0.404564  1
  H  H41  1  0.928237  0.759982  0.374261  1
  H  H42  1  0.928237  0.162405  0.434867  1
  H  H43  1  0.071763  0.471514  0.413618  1
  H  H44  1  0.071763  0.770303  0.383315  1
  H  H45  1  0.071763  0.172726  0.443921  1
  H  H46  1  0.428237  0.419697  0.368163  1
  H  H47  1  0.428237  0.822120  0.428769  1
  H  H48  1  0.428237  0.120909  0.398466  1
  H  H49  1  0.571763  0.714222  0.480322  1
  H  H50  1  0.571763  0.116645  0.540928  1
  H  H51  1  0.571763  0.415434  0.510625  1
  H  H52  1  0.928237  0.766039  0.525776  1
  H  H53  1  0.928237  0.064828  0.495473  1
  H  H54  1  0.928237  0.363617  0.465170  1
  H  H55  1  0.071763  0.776360  0.534830  1
  H  H56  1  0.071763  0.075149  0.504527  1
  H  H57  1  0.071763  0.373937  0.474224  1
  H  H58  1  0.428237  0.724543  0.489375  1
  H  H59  1  0.428237  0.023332  0.459072  1
  H  H60  1  0.428237  0.425754  0.519678  1
  H  H61  1  0.571763  0.616645  0.540928  1
  H  H62  1  0.571763  0.915434  0.510625  1
  H  H63  1  0.571763  0.214222  0.480322  1
  H  H64  1  0.928237  0.564828  0.495473  1
  H  H65  1  0.928237  0.863617  0.465170  1
  H  H66  1  0.928237  0.266039  0.525776  1
  H  H67  1  0.071763  0.575149  0.504527  1
  H  H68  1  0.071763  0.873937  0.474224  1
  H  H69  1  0.071763  0.276360  0.534830  1
  H  H70  1  0.428237  0.523332  0.459072  1
  H  H71  1  0.428237  0.925754  0.519678  1
  H  H72  1  0.428237  0.224543  0.489375  1
  H  H73  1  0.571763  0.817857  0.571231  1
  H  H74  1  0.571763  0.220279  0.631837  1
  H  H75  1  0.571763  0.519068  0.601534  1
  H  H76  1  0.928237  0.869674  0.616685  1
  H  H77  1  0.928237  0.168462  0.586382  1
  H  H78  1  0.928237  0.467251  0.556079  1
  H  H79  1  0.071763  0.879994  0.625739  1
  H  H80  1  0.071763  0.178783  0.595436  1
  H  H81  1  0.071763  0.477572  0.565133  1
  H  H82  1  0.428237  0.828177  0.580284  1
  H  H83  1  0.428237  0.126966  0.549981  1
  H  H84  1  0.428237  0.529389  0.610587  1
  H  H85  1  0.571763  0.720279  0.631837  1
  H  H86  1  0.571763  0.019068  0.601534  1
  H  H87  1  0.571763  0.317857  0.571231  1
  H  H88  1  0.928237  0.668462  0.586382  1
  H  H89  1  0.928237  0.967251  0.556079  1
  H  H90  1  0.928237  0.369674  0.616685  1
  H  H91  1  0.071763  0.678783  0.595436  1
  H  H92  1  0.071763  0.977572  0.565133  1
  H  H93  1  0.071763  0.379994  0.625739  1
  H  H94  1  0.428237  0.626966  0.549981  1
  H  H95  1  0.428237  0.029389  0.610587  1
  H  H96  1  0.428237  0.328177  0.580284  1
  H  H97  1  0.571763  0.921491  0.662140  1
  H  H98  1  0.571763  0.323914  0.722746  1
  H  H99  1  0.571763  0.622702  0.692443  1
  H  H100  1  0.928237  0.973308  0.707595  1
  H  H101  1  0.928237  0.272097  0.677291  1
  H  H102  1  0.928237  0.570885  0.646988  1
  H  H103  1  0.071763  0.983629  0.716648  1
  H  H104  1  0.071763  0.282417  0.686345  1
  H  H105  1  0.071763  0.581206  0.656042  1
  H  H106  1  0.428237  0.931811  0.671193  1
  H  H107  1  0.428237  0.230600  0.640890  1
  H  H108  1  0.428237  0.633023  0.701496  1
  H  H109  1  0.571763  0.823914  0.722746  1
  H  H110  1  0.571763  0.122702  0.692443  1
  H  H111  1  0.571763  0.421491  0.662140  1
  H  H112  1  0.928237  0.772097  0.677291  1
  H  H113  1  0.928237  0.070885  0.646988  1
  H  H114  1  0.928237  0.473308  0.707595  1
  H  H115  1  0.071763  0.782417  0.686345  1
  H  H116  1  0.071763  0.081206  0.656042  1
  H  H117  1  0.071763  0.483629  0.716648  1
  H  H118  1  0.428237  0.730600  0.640890  1
  H  H119  1  0.428237  0.133023  0.701496  1
  H  H120  1  0.428237  0.431811  0.671193  1
