# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874692
_cell_length_b   12.51941005
_cell_length_c   49.11361736
_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   3036.70467735
_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  0.549794  0.597949  0.331159  1
  H  H2  1  0.549794  0.881431  0.361462  1
  H  H3  1  0.549794  0.314468  0.300856  1
  H  H4  1  0.049794  0.496896  0.320356  1
  H  H5  1  0.049794  0.780377  0.350659  1
  H  H6  1  0.049794  0.213415  0.290053  1
  H  H7  1  0.950206  0.739690  0.346310  1
  H  H8  1  0.950206  0.172728  0.285704  1
  H  H9  1  0.950206  0.456209  0.316007  1
  H  H10  1  0.450206  0.638636  0.335508  1
  H  H11  1  0.450206  0.071674  0.274902  1
  H  H12  1  0.450206  0.355155  0.305205  1
  H  H13  1  0.049794  0.672728  0.285704  1
  H  H14  1  0.049794  0.956209  0.316007  1
  H  H15  1  0.049794  0.239690  0.346310  1
  H  H16  1  0.549794  0.571674  0.274902  1
  H  H17  1  0.549794  0.855155  0.305205  1
  H  H18  1  0.549794  0.138636  0.335508  1
  H  H19  1  0.450206  0.814468  0.300856  1
  H  H20  1  0.450206  0.097949  0.331159  1
  H  H21  1  0.450206  0.381431  0.361462  1
  H  H22  1  0.950206  0.713415  0.290053  1
  H  H23  1  0.950206  0.996896  0.320356  1
  H  H24  1  0.950206  0.280377  0.350659  1
  H  H25  1  0.549794  0.448393  0.422068  1
  H  H26  1  0.549794  0.731874  0.452371  1
  H  H27  1  0.549794  0.164912  0.391765  1
  H  H28  1  0.049794  0.347339  0.411266  1
  H  H29  1  0.049794  0.630820  0.441569  1
  H  H30  1  0.049794  0.063858  0.380963  1
  H  H31  1  0.950206  0.590133  0.437219  1
  H  H32  1  0.950206  0.023171  0.376613  1
  H  H33  1  0.950206  0.306652  0.406916  1
  H  H34  1  0.450206  0.489080  0.426417  1
  H  H35  1  0.450206  0.922118  0.365811  1
  H  H36  1  0.450206  0.205599  0.396114  1
  H  H37  1  0.049794  0.523171  0.376613  1
  H  H38  1  0.049794  0.806652  0.406916  1
  H  H39  1  0.049794  0.090133  0.437219  1
  H  H40  1  0.549794  0.422118  0.365811  1
  H  H41  1  0.549794  0.705599  0.396114  1
  H  H42  1  0.549794  0.989080  0.426417  1
  H  H43  1  0.450206  0.664912  0.391765  1
  H  H44  1  0.450206  0.948393  0.422068  1
  H  H45  1  0.450206  0.231874  0.452371  1
  H  H46  1  0.950206  0.563858  0.380963  1
  H  H47  1  0.950206  0.847339  0.411266  1
  H  H48  1  0.950206  0.130820  0.441569  1
  H  H49  1  0.549794  0.298836  0.512977  1
  H  H50  1  0.549794  0.582318  0.543280  1
  H  H51  1  0.549794  0.015355  0.482674  1
  H  H52  1  0.049794  0.197783  0.502175  1
  H  H53  1  0.049794  0.481264  0.532478  1
  H  H54  1  0.049794  0.914302  0.471872  1
  H  H55  1  0.950206  0.440577  0.528128  1
  H  H56  1  0.950206  0.873615  0.467522  1
  H  H57  1  0.950206  0.157096  0.497825  1
  H  H58  1  0.450206  0.339523  0.517326  1
  H  H59  1  0.450206  0.772561  0.456720  1
  H  H60  1  0.450206  0.056042  0.487023  1
  H  H61  1  0.049794  0.373615  0.467522  1
  H  H62  1  0.049794  0.657096  0.497825  1
  H  H63  1  0.049794  0.940577  0.528128  1
  H  H64  1  0.549794  0.272561  0.456720  1
  H  H65  1  0.549794  0.556042  0.487023  1
  H  H66  1  0.549794  0.839523  0.517326  1
  H  H67  1  0.450206  0.515355  0.482674  1
  H  H68  1  0.450206  0.798836  0.512977  1
  H  H69  1  0.450206  0.082318  0.543280  1
  H  H70  1  0.950206  0.414302  0.471872  1
  H  H71  1  0.950206  0.697783  0.502175  1
  H  H72  1  0.950206  0.981264  0.532478  1
  H  H73  1  0.549794  0.149280  0.603886  1
  H  H74  1  0.549794  0.432761  0.634189  1
  H  H75  1  0.549794  0.865799  0.573583  1
  H  H76  1  0.049794  0.048226  0.593084  1
  H  H77  1  0.049794  0.331707  0.623387  1
  H  H78  1  0.049794  0.764745  0.562781  1
  H  H79  1  0.950206  0.291020  0.619037  1
  H  H80  1  0.950206  0.724058  0.558431  1
  H  H81  1  0.950206  0.007539  0.588734  1
  H  H82  1  0.450206  0.189967  0.608235  1
  H  H83  1  0.450206  0.623005  0.547629  1
  H  H84  1  0.450206  0.906486  0.577932  1
  H  H85  1  0.049794  0.224058  0.558431  1
  H  H86  1  0.049794  0.507539  0.588734  1
  H  H87  1  0.049794  0.791020  0.619037  1
  H  H88  1  0.549794  0.123005  0.547629  1
  H  H89  1  0.549794  0.406486  0.577932  1
  H  H90  1  0.549794  0.689967  0.608235  1
  H  H91  1  0.450206  0.365799  0.573583  1
  H  H92  1  0.450206  0.649280  0.603886  1
  H  H93  1  0.450206  0.932761  0.634189  1
  H  H94  1  0.950206  0.264745  0.562781  1
  H  H95  1  0.950206  0.548226  0.593084  1
  H  H96  1  0.950206  0.831707  0.623387  1
  H  H97  1  0.549794  0.999723  0.694795  1
  H  H98  1  0.549794  0.283205  0.725098  1
  H  H99  1  0.549794  0.716242  0.664492  1
  H  H100  1  0.049794  0.898670  0.683993  1
  H  H101  1  0.049794  0.182151  0.714296  1
  H  H102  1  0.049794  0.615189  0.653690  1
  H  H103  1  0.950206  0.141464  0.709947  1
  H  H104  1  0.950206  0.574502  0.649341  1
  H  H105  1  0.950206  0.857983  0.679644  1
  H  H106  1  0.450206  0.040410  0.699144  1
  H  H107  1  0.450206  0.473448  0.638538  1
  H  H108  1  0.450206  0.756929  0.668841  1
  H  H109  1  0.049794  0.074502  0.649341  1
  H  H110  1  0.049794  0.357983  0.679644  1
  H  H111  1  0.049794  0.641464  0.709947  1
  H  H112  1  0.549794  0.973448  0.638538  1
  H  H113  1  0.549794  0.256929  0.668841  1
  H  H114  1  0.549794  0.540410  0.699144  1
  H  H115  1  0.450206  0.216242  0.664492  1
  H  H116  1  0.450206  0.499723  0.694795  1
  H  H117  1  0.450206  0.783205  0.725098  1
  H  H118  1  0.950206  0.115189  0.653690  1
  H  H119  1  0.950206  0.398670  0.683993  1
  H  H120  1  0.950206  0.682151  0.714296  1
