# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84866230
_cell_length_b   7.66239992
_cell_length_c   45.35939509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.03200149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H57
_cell_volume   974.948453748
_cell_formula_units_Z   28
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  0.212832  0.409496  0.299834  1
  H  H2  1  0.549283  0.082818  0.292082  1
  H  H3  1  0.885735  0.756140  0.284331  1
  H  H4  1  0.204413  0.391530  0.320760  1
  H  H5  1  0.540865  0.064852  0.313008  1
  H  H6  1  0.877317  0.738174  0.305257  1
  H  H7  1  0.194453  0.370274  0.345520  1
  H  H8  1  0.530905  0.043596  0.337768  1
  H  H9  1  0.867357  0.716918  0.330016  1
  H  H10  1  0.185320  0.350782  0.368224  1
  H  H11  1  0.521772  0.024104  0.360472  1
  H  H12  1  0.858224  0.697426  0.352720  1
  H  H13  1  0.175846  0.330563  0.391774  1
  H  H14  1  0.512298  0.003885  0.384022  1
  H  H15  1  0.848750  0.677207  0.376270  1
  H  H16  1  0.166536  0.310694  0.414917  1
  H  H17  1  0.502988  0.984016  0.407165  1
  H  H18  1  0.839440  0.657338  0.399413  1
  H  H19  1  0.157152  0.290667  0.438245  1
  H  H20  1  0.493604  0.963989  0.430493  1
  H  H21  1  0.830056  0.637311  0.422741  1
  H  H22  1  0.147802  0.270713  0.461486  1
  H  H23  1  0.484254  0.944035  0.453735  1
  H  H24  1  0.820706  0.617357  0.445983  1
  H  H25  1  0.138437  0.250727  0.484766  1
  H  H26  1  0.474889  0.924048  0.477015  1
  H  H27  1  0.811341  0.597370  0.469263  1
  H  H28  1  0.129078  0.230752  0.508032  1
  H  H29  1  0.465530  0.904074  0.500280  1
  H  H30  1  0.801982  0.577396  0.492528  1
  H  H31  1  0.119719  0.210778  0.531297  1
  H  H32  1  0.456171  0.884100  0.523545  1
  H  H33  1  0.792622  0.557422  0.515793  1
  H  H34  1  0.110354  0.190792  0.554577  1
  H  H35  1  0.446806  0.864114  0.546825  1
  H  H36  1  0.783257  0.537436  0.539073  1
  H  H37  1  0.101004  0.170838  0.577819  1
  H  H38  1  0.437456  0.844160  0.570067  1
  H  H39  1  0.773908  0.517482  0.562315  1
  H  H40  1  0.091620  0.150811  0.601147  1
  H  H41  1  0.428072  0.824133  0.593395  1
  H  H42  1  0.764523  0.497454  0.585643  1
  H  H43  1  0.082310  0.130942  0.624290  1
  H  H44  1  0.418762  0.804264  0.616538  1
  H  H45  1  0.755214  0.477586  0.608786  1
  H  H46  1  0.072836  0.110723  0.647840  1
  H  H47  1  0.409288  0.784045  0.640088  1
  H  H48  1  0.745740  0.457367  0.632336  1
  H  H49  1  0.063703  0.091231  0.670544  1
  H  H50  1  0.400155  0.764553  0.662792  1
  H  H51  1  0.736606  0.437875  0.655040  1
  H  H52  1  0.053743  0.069975  0.695303  1
  H  H53  1  0.390195  0.743296  0.687551  1
  H  H54  1  0.726646  0.416618  0.679800  1
  H  H55  1  0.045325  0.052009  0.716229  1
  H  H56  1  0.381776  0.725331  0.708477  1
  H  H57  1  0.718228  0.398653  0.700726  1
