# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82547317
_cell_length_b   9.96287220
_cell_length_c   48.23328716
_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   H90
_cell_volume   1838.30081978
_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  0.754234  0.221974  0.290470  1
  H  H2  1  0.754234  0.995358  0.270213  1
  H  H3  1  0.754234  0.604774  0.279006  1
  H  H4  1  0.254234  0.370354  0.284366  1
  H  H5  1  0.254234  0.143494  0.266720  1
  H  H6  1  0.254234  0.761342  0.274957  1
  H  H7  1  0.754234  0.036392  0.320437  1
  H  H8  1  0.754234  0.819655  0.301334  1
  H  H9  1  0.754234  0.430533  0.311061  1
  H  H10  1  0.254234  0.178146  0.315796  1
  H  H11  1  0.254234  0.965101  0.297553  1
  H  H12  1  0.254234  0.575860  0.306193  1
  H  H13  1  0.754234  0.850685  0.350251  1
  H  H14  1  0.754234  0.639888  0.330728  1
  H  H15  1  0.754234  0.245239  0.340369  1
  H  H16  1  0.254234  0.989659  0.345597  1
  H  H17  1  0.254234  0.780617  0.326325  1
  H  H18  1  0.254234  0.385193  0.335252  1
  H  H19  1  0.754234  0.662737  0.379657  1
  H  H20  1  0.754234  0.453984  0.360126  1
  H  H21  1  0.754234  0.058705  0.369898  1
  H  H22  1  0.254234  0.799890  0.374712  1
  H  H23  1  0.254234  0.591866  0.355129  1
  H  H24  1  0.254234  0.196689  0.364732  1
  H  H25  1  0.754234  0.474223  0.409071  1
  H  H26  1  0.754234  0.266408  0.389516  1
  H  H27  1  0.754234  0.870483  0.399329  1
  H  H28  1  0.254234  0.610895  0.403755  1
  H  H29  1  0.254234  0.403435  0.384166  1
  H  H30  1  0.254234  0.007473  0.394071  1
  H  H31  1  0.754234  0.285703  0.438463  1
  H  H32  1  0.754234  0.078088  0.418908  1
  H  H33  1  0.754234  0.681855  0.428651  1
  H  H34  1  0.254234  0.422450  0.433033  1
  H  H35  1  0.254234  0.214947  0.413517  1
  H  H36  1  0.254234  0.818591  0.423343  1
  H  H37  1  0.754234  0.097124  0.467818  1
  H  H38  1  0.754234  0.889490  0.448252  1
  H  H39  1  0.754234  0.493287  0.458015  1
  H  H40  1  0.254234  0.233909  0.462387  1
  H  H41  1  0.254234  0.026288  0.442856  1
  H  H42  1  0.254234  0.630029  0.452604  1
  H  H43  1  0.754234  0.908535  0.497138  1
  H  H44  1  0.754234  0.700889  0.477577  1
  H  H45  1  0.754234  0.304720  0.487378  1
  H  H46  1  0.254234  0.045320  0.491736  1
  H  H47  1  0.254234  0.837674  0.472175  1
  H  H48  1  0.254234  0.441489  0.481935  1
  H  H49  1  0.754234  0.719921  0.526457  1
  H  H50  1  0.754234  0.512300  0.506926  1
  H  H51  1  0.754234  0.116180  0.516709  1
  H  H52  1  0.254234  0.856719  0.521061  1
  H  H53  1  0.254234  0.649086  0.501495  1
  H  H54  1  0.254234  0.252922  0.511298  1
  H  H55  1  0.754234  0.531262  0.555796  1
  H  H56  1  0.754234  0.323759  0.536280  1
  H  H57  1  0.754234  0.927618  0.545970  1
  H  H58  1  0.254234  0.668121  0.550405  1
  H  H59  1  0.254234  0.460506  0.530850  1
  H  H60  1  0.254234  0.064354  0.540662  1
  H  H61  1  0.754234  0.342774  0.585147  1
  H  H62  1  0.754234  0.135314  0.565558  1
  H  H63  1  0.754234  0.738736  0.575242  1
  H  H64  1  0.254234  0.479801  0.579797  1
  H  H65  1  0.254234  0.271987  0.560242  1
  H  H66  1  0.254234  0.875726  0.569984  1
  H  H67  1  0.754234  0.154343  0.614184  1
  H  H68  1  0.754234  0.946319  0.594601  1
  H  H69  1  0.754234  0.549520  0.604581  1
  H  H70  1  0.254234  0.292225  0.609187  1
  H  H71  1  0.254234  0.083472  0.589656  1
  H  H72  1  0.254234  0.687505  0.599415  1
  H  H73  1  0.754234  0.965592  0.642988  1
  H  H74  1  0.754234  0.756550  0.623716  1
  H  H75  1  0.754234  0.361016  0.634061  1
  H  H76  1  0.254234  0.106321  0.638585  1
  H  H77  1  0.254234  0.895524  0.619062  1
  H  H78  1  0.254234  0.500971  0.628944  1
  H  H79  1  0.754234  0.781109  0.671760  1
  H  H80  1  0.754234  0.568063  0.653517  1
  H  H81  1  0.754234  0.170349  0.663120  1
  H  H82  1  0.254234  0.926554  0.667978  1
  H  H83  1  0.254234  0.709817  0.648876  1
  H  H84  1  0.254234  0.315677  0.658252  1
  H  H85  1  0.754234  0.602715  0.702593  1
  H  H86  1  0.754234  0.375856  0.684947  1
  H  H87  1  0.754234  0.984867  0.694356  1
  H  H88  1  0.254234  0.750851  0.699100  1
  H  H89  1  0.254234  0.524235  0.678843  1
  H  H90  1  0.254234  0.141436  0.690307  1
