# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80301675
_cell_length_b   9.12129598
_cell_length_c   50.57097532
_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   H88
_cell_volume   1754.22831501
_cell_formula_units_Z   44
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  0.999954  -0.019935  0.242655  1
  H  H2  1  0.985615  0.230428  0.242491  1
  H  H3  1  0.916822  0.480065  0.242655  1
  H  H4  1  0.931161  0.730428  0.242491  1
  H  H5  1  0.493716  0.877669  0.262274  1
  H  H6  1  0.496863  0.127648  0.262057  1
  H  H7  1  0.423060  0.377669  0.262274  1
  H  H8  1  0.419912  0.627648  0.262057  1
  H  H9  1  1.000978  0.814820  0.284880  1
  H  H10  1  0.999052  0.065129  0.284881  1
  H  H11  1  0.915797  0.314820  0.284880  1
  H  H12  1  0.917724  0.565129  0.284881  1
  H  H13  1  0.501127  0.726875  0.304109  1
  H  H14  1  0.504897  -0.022917  0.304141  1
  H  H15  1  0.415648  0.226875  0.304109  1
  H  H16  1  0.411879  0.477083  0.304141  1
  H  H17  1  1.006547  0.659690  0.326051  1
  H  H18  1  1.005323  0.910003  0.326084  1
  H  H19  1  0.910228  0.159690  0.326051  1
  H  H20  1  0.911453  0.410003  0.326084  1
  H  H21  1  0.505790  0.575320  0.345993  1
  H  H22  1  0.508581  0.825392  0.345953  1
  H  H23  1  0.410985  0.075320  0.345993  1
  H  H24  1  0.408195  0.325392  0.345953  1
  H  H25  1  1.008927  0.503570  0.367570  1
  H  H26  1  1.008220  0.753846  0.367597  1
  H  H27  1  0.907848  0.003570  0.367570  1
  H  H28  1  0.908556  0.253846  0.367597  1
  H  H29  1  0.508180  0.422134  0.387794  1
  H  H30  1  0.510035  0.672312  0.387809  1
  H  H31  1  0.408595  0.922134  0.387794  1
  H  H32  1  0.406741  0.172312  0.387809  1
  H  H33  1  1.010008  0.348783  0.409136  1
  H  H34  1  1.009388  0.599022  0.409163  1
  H  H35  1  0.906768  0.848783  0.409136  1
  H  H36  1  0.907387  0.099022  0.409163  1
  H  H37  1  0.509285  0.268629  0.429535  1
  H  H38  1  0.510458  0.518810  0.429546  1
  H  H39  1  0.407491  0.768629  0.429535  1
  H  H40  1  0.406317  0.018810  0.429546  1
  H  H41  1  1.010426  0.194423  0.450769  1
  H  H42  1  1.009631  0.444640  0.450792  1
  H  H43  1  0.906350  0.694423  0.450769  1
  H  H44  1  0.907145  0.944640  0.450792  1
  H  H45  1  0.509631  0.114649  0.471214  1
  H  H46  1  0.510426  0.364866  0.471237  1
  H  H47  1  0.407145  0.614649  0.471214  1
  H  H48  1  0.406350  0.864866  0.471237  1
  H  H49  1  1.010458  0.040478  0.492460  1
  H  H50  1  1.009285  0.290660  0.492470  1
  H  H51  1  0.906317  0.540478  0.492460  1
  H  H52  1  0.907491  0.790660  0.492470  1
  H  H53  1  0.509388  -0.039734  0.512842  1
  H  H54  1  0.510008  0.210506  0.512870  1
  H  H55  1  0.407387  0.460266  0.512842  1
  H  H56  1  0.406768  0.710506  0.512870  1
  H  H57  1  1.010035  0.886976  0.534196  1
  H  H58  1  1.008180  0.137155  0.534212  1
  H  H59  1  0.906741  0.386976  0.534196  1
  H  H60  1  0.908595  0.637155  0.534212  1
  H  H61  1  0.508220  0.805443  0.554409  1
  H  H62  1  0.508927  0.055718  0.554436  1
  H  H63  1  0.408556  0.305443  0.554409  1
  H  H64  1  0.407848  0.555718  0.554436  1
  H  H65  1  1.008581  0.733896  0.576053  1
  H  H66  1  1.005790  -0.016032  0.576013  1
  H  H67  1  0.908195  0.233896  0.576053  1
  H  H68  1  0.910985  0.483968  0.576013  1
  H  H69  1  0.505323  0.649286  0.595922  1
  H  H70  1  0.506547  0.899599  0.595955  1
  H  H71  1  0.411453  0.149286  0.595922  1
  H  H72  1  0.410228  0.399599  0.595955  1
  H  H73  1  1.004897  0.582205  0.617865  1
  H  H74  1  1.001127  0.832413  0.617896  1
  H  H75  1  0.911879  0.082205  0.617865  1
  H  H76  1  0.915648  0.332413  0.617896  1
  H  H77  1  0.499052  0.494160  0.637125  1
  H  H78  1  0.500978  0.744468  0.637126  1
  H  H79  1  0.417724  -0.005840  0.637125  1
  H  H80  1  0.415797  0.244468  0.637126  1
  H  H81  1  0.996863  0.431641  0.659949  1
  H  H82  1  0.993716  0.681620  0.659732  1
  H  H83  1  0.919912  0.931641  0.659949  1
  H  H84  1  0.923060  0.181620  0.659732  1
  H  H85  1  0.485615  0.328861  0.679515  1
  H  H86  1  0.499954  0.579223  0.679351  1
  H  H87  1  0.431161  0.828861  0.679515  1
  H  H88  1  0.416822  0.079223  0.679351  1
