# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28334614
_cell_length_b   16.45221126
_cell_length_c   53.51724668
_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   H96
_cell_volume   2010.43387329
_cell_formula_units_Z   48
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  1.016317  0.993400  0.273946  1
  H  H2  1  1.016317  0.361615  0.267381  1
  H  H3  1  1.016317  0.797252  0.333771  1
  H  H4  1  0.516317  0.959161  0.236459  1
  H  H5  1  0.516317  0.327061  0.230442  1
  H  H6  1  0.516317  0.758159  0.296912  1
  H  H7  1  1.016317  1.057258  0.348257  1
  H  H8  1  1.016317  0.226991  0.256328  1
  H  H9  1  1.016317  0.628249  0.281060  1
  H  H10  1  0.516317  1.025612  0.310488  1
  H  H11  1  0.516317  0.190312  0.219457  1
  H  H12  1  0.516317  0.589643  0.243643  1
  H  H13  1  0.516317  0.861615  0.267381  1
  H  H14  1  0.516317  0.297252  0.333771  1
  H  H15  1  0.516317  0.493400  0.273946  1
  H  H16  1  1.016317  0.827061  0.230442  1
  H  H17  1  1.016317  0.258159  0.296912  1
  H  H18  1  1.016317  0.459161  0.236459  1
  H  H19  1  0.516317  0.726991  0.256328  1
  H  H20  1  0.516317  1.128249  0.281060  1
  H  H21  1  0.516317  0.557258  0.348257  1
  H  H22  1  1.016317  0.690312  0.219457  1
  H  H23  1  1.016317  1.089643  0.243643  1
  H  H24  1  1.016317  0.525612  0.310488  1
  H  H25  1  1.016317  0.197040  0.358074  1
  H  H26  1  1.016317  0.636150  0.424933  1
  H  H27  1  1.016317  1.003576  0.417922  1
  H  H28  1  0.516317  0.158897  0.322151  1
  H  H29  1  0.516317  0.601036  0.388088  1
  H  H30  1  0.516317  0.972115  0.380223  1
  H  H31  1  1.016317  0.271533  0.431859  1
  H  H32  1  1.016317  0.428409  0.340425  1
  H  H33  1  1.016317  0.870333  0.406363  1
  H  H34  1  0.516317  0.232319  0.394814  1
  H  H35  1  0.516317  0.393581  0.303605  1
  H  H36  1  0.516317  0.832396  0.370453  1
  H  H37  1  0.516317  1.136150  0.424933  1
  H  H38  1  0.516317  0.503576  0.417922  1
  H  H39  1  0.516317  0.697040  0.358074  1
  H  H40  1  1.016317  1.101036  0.388088  1
  H  H41  1  1.016317  0.472115  0.380223  1
  H  H42  1  1.016317  0.658897  0.322151  1
  H  H43  1  0.516317  0.928409  0.340425  1
  H  H44  1  0.516317  0.370333  0.406363  1
  H  H45  1  0.516317  0.771533  0.431859  1
  H  H46  1  1.016317  0.893581  0.303605  1
  H  H47  1  1.016317  0.332396  0.370453  1
  H  H48  1  1.016317  0.732319  0.394814  1
  H  H49  1  1.016317  0.439623  0.484500  1
  H  H50  1  1.016317  0.839546  0.508861  1
  H  H51  1  1.016317  0.278361  0.575709  1
  H  H52  1  0.516317  0.400409  0.447454  1
  H  H53  1  0.516317  0.801609  0.472951  1
  H  H54  1  0.516317  0.243533  0.538889  1
  H  H55  1  1.016317  0.513045  0.557163  1
  H  H56  1  1.016317  0.699827  0.499091  1
  H  H57  1  1.016317  1.070906  0.491225  1
  H  H58  1  0.516317  0.474902  0.521240  1
  H  H59  1  0.516317  0.668366  0.461392  1
  H  H60  1  0.516317  1.035791  0.454380  1
  H  H61  1  0.516317  0.339546  0.508861  1
  H  H62  1  0.516317  0.778361  0.575709  1
  H  H63  1  0.516317  0.939623  0.484500  1
  H  H64  1  1.016317  0.301609  0.472951  1
  H  H65  1  1.016317  0.743533  0.538889  1
  H  H66  1  1.016317  0.900409  0.447454  1
  H  H67  1  0.516317  0.199827  0.499091  1
  H  H68  1  0.516317  0.570906  0.491225  1
  H  H69  1  0.516317  1.013045  0.557163  1
  H  H70  1  1.016317  0.168366  0.461392  1
  H  H71  1  1.016317  0.535791  0.454380  1
  H  H72  1  1.016317  0.974902  0.521240  1
  H  H73  1  1.016317  0.646330  0.568826  1
  H  H74  1  1.016317  1.082299  0.635671  1
  H  H75  1  1.016317  0.481630  0.659857  1
  H  H76  1  0.516317  0.614684  0.531056  1
  H  H77  1  0.516317  1.043693  0.598253  1
  H  H78  1  0.516317  0.444951  0.622986  1
  H  H79  1  1.016317  0.712781  0.642855  1
  H  H80  1  1.016317  0.913783  0.582402  1
  H  H81  1  1.016317  0.344881  0.648872  1
  H  H82  1  0.516317  0.678542  0.605367  1
  H  H83  1  0.516317  0.874689  0.545543  1
  H  H84  1  0.516317  0.310327  0.611933  1
  H  H85  1  0.516317  0.582299  0.635671  1
  H  H86  1  0.516317  0.981630  0.659857  1
  H  H87  1  0.516317  0.146330  0.568826  1
  H  H88  1  1.016317  0.543693  0.598253  1
  H  H89  1  1.016317  0.944951  0.622986  1
  H  H90  1  1.016317  1.114684  0.531056  1
  H  H91  1  0.516317  0.413783  0.582402  1
  H  H92  1  0.516317  0.844881  0.648872  1
  H  H93  1  0.516317  0.212781  0.642855  1
  H  H94  1  1.016317  0.374689  0.545543  1
  H  H95  1  1.016317  0.810327  0.611933  1
  H  H96  1  1.016317  0.178542  0.605367  1
