# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46014837
_cell_length_b   6.30570106
_cell_length_c   70.74400519
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1830.19344043
_cell_formula_units_Z   45
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  0.726853  0.672482  0.130874  1
  H  H2  1  1.226853  0.672482  0.130874  1
  H  H3  1  1.150252  1.012647  0.120752  1
  H  H4  1  0.580541  0.364346  0.111495  1
  H  H5  1  0.650252  1.012647  0.120752  1
  H  H6  1  1.080541  0.364346  0.111495  1
  H  H7  1  0.464609  0.639658  0.160199  1
  H  H8  1  0.964609  0.639658  0.160199  1
  H  H9  1  0.885878  0.984060  0.150477  1
  H  H10  1  0.308034  0.325890  0.140982  1
  H  H11  1  0.385878  0.984060  0.150477  1
  H  H12  1  0.808034  0.325890  0.140982  1
  H  H13  1  1.201139  0.607926  0.189551  1
  H  H14  1  0.701139  0.607926  0.189551  1
  H  H15  1  0.622314  0.951682  0.179762  1
  H  H16  1  1.044308  0.295630  0.170082  1
  H  H17  1  1.122314  0.951682  0.179762  1
  H  H18  1  0.544308  0.295630  0.170082  1
  H  H19  1  0.937815  0.575974  0.218913  1
  H  H20  1  0.437815  0.575974  0.218913  1
  H  H21  1  0.359009  0.919901  0.209127  1
  H  H22  1  0.780411  0.263775  0.199376  1
  H  H23  1  0.859009  0.919901  0.209127  1
  H  H24  1  0.280411  0.263775  0.199376  1
  H  H25  1  0.674489  0.544099  0.248270  1
  H  H26  1  1.174489  0.544099  0.248270  1
  H  H27  1  1.095623  0.888036  0.238485  1
  H  H28  1  0.516851  0.231965  0.228713  1
  H  H29  1  0.595623  0.888036  0.238485  1
  H  H30  1  1.016851  0.231965  0.228713  1
  H  H31  1  0.411130  0.512240  0.277624  1
  H  H32  1  0.911130  0.512240  0.277624  1
  H  H33  1  0.832253  0.856185  0.267839  1
  H  H34  1  1.253418  0.200126  0.258060  1
  H  H35  1  0.332253  0.856185  0.267839  1
  H  H36  1  0.753418  0.200126  0.258060  1
  H  H37  1  1.147758  0.480387  0.306977  1
  H  H38  1  0.647758  0.480387  0.306977  1
  H  H39  1  0.568883  0.824335  0.297193  1
  H  H40  1  0.990022  0.168281  0.287410  1
  H  H41  1  1.068883  0.824335  0.297193  1
  H  H42  1  0.490022  0.168281  0.287410  1
  H  H43  1  0.884381  0.448536  0.336329  1
  H  H44  1  0.384381  0.448536  0.336329  1
  H  H45  1  0.305510  0.792485  0.326546  1
  H  H46  1  0.726640  0.136433  0.316762  1
  H  H47  1  0.805510  0.792485  0.326546  1
  H  H48  1  1.226640  0.136433  0.316762  1
  H  H49  1  0.620998  0.416688  0.365681  1
  H  H50  1  1.120998  0.416688  0.365681  1
  H  H51  1  1.042138  0.760634  0.355899  1
  H  H52  1  0.463263  1.104582  0.346114  1
  H  H53  1  0.542138  0.760634  0.355899  1
  H  H54  1  0.963263  1.104582  0.346114  1
  H  H55  1  0.357603  0.384843  0.395031  1
  H  H56  1  0.857603  0.384843  0.395031  1
  H  H57  1  0.778767  0.728784  0.385252  1
  H  H58  1  1.199891  1.072729  0.375467  1
  H  H59  1  0.278767  0.728784  0.385252  1
  H  H60  1  0.699891  1.072729  0.375467  1
  H  H61  1  1.094169  0.353005  0.424378  1
  H  H62  1  0.594169  0.353005  0.424378  1
  H  H63  1  0.515397  0.696933  0.414607  1
  H  H64  1  0.936531  1.040870  0.404821  1
  H  H65  1  1.015397  0.696933  0.414607  1
  H  H66  1  0.436531  1.040870  0.404821  1
  H  H67  1  0.830609  0.321194  0.453715  1
  H  H68  1  0.330609  0.321194  0.453715  1
  H  H69  1  1.252012  0.665068  0.443965  1
  H  H70  1  0.673206  1.008995  0.434178  1
  H  H71  1  0.752012  0.665068  0.443965  1
  H  H72  1  1.173206  1.008995  0.434178  1
  H  H73  1  0.566713  0.289339  0.483010  1
  H  H74  1  1.066713  0.289339  0.483010  1
  H  H75  1  0.988707  0.633287  0.473329  1
  H  H76  1  0.409881  0.977043  0.463540  1
  H  H77  1  0.488707  0.633287  0.473329  1
  H  H78  1  0.909881  0.977043  0.463540  1
  H  H79  1  0.302986  0.259079  0.512109  1
  H  H80  1  0.802986  0.259079  0.512109  1
  H  H81  1  0.725143  0.600910  0.502615  1
  H  H82  1  1.146411  0.945311  0.492892  1
  H  H83  1  1.225143  0.600910  0.502615  1
  H  H84  1  0.646411  0.945311  0.492892  1
  H  H85  1  1.030479  0.220623  0.541597  1
  H  H86  1  0.530479  0.220623  0.541597  1
  H  H87  1  0.460769  0.572322  0.532339  1
  H  H88  1  0.884168  0.912487  0.522217  1
  H  H89  1  0.960769  0.572322  0.532339  1
  H  H90  1  0.384168  0.912487  0.522217  1
