# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78455126
_cell_length_b   7.93048433
_cell_length_c   50.85811916
_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   H72
_cell_volume   1526.42123143
_cell_formula_units_Z   36
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  0.999419  0.442256  0.251229  1
  H  H2  1  1.002865  0.591115  0.288931  1
  H  H3  1  0.925718  0.862314  0.275274  1
  H  H4  1  0.926774  0.147435  0.262775  1
  H  H5  1  0.497970  0.362314  0.275274  1
  H  H6  1  0.496914  0.647435  0.262775  1
  H  H7  1  0.424269  0.942256  0.251229  1
  H  H8  1  0.420823  0.091115  0.288931  1
  H  H9  1  1.001878  0.313457  0.299908  1
  H  H10  1  1.007093  0.487572  0.335603  1
  H  H11  1  0.917571  0.763665  0.323915  1
  H  H12  1  0.918249  0.036758  0.311580  1
  H  H13  1  0.506117  0.263665  0.323915  1
  H  H14  1  0.505439  0.536758  0.311580  1
  H  H15  1  0.421810  0.813457  0.299908  1
  H  H16  1  0.416595  -0.012428  0.335603  1
  H  H17  1  1.007145  0.211768  0.347287  1
  H  H18  1  1.008507  0.386255  0.383056  1
  H  H19  1  0.915716  0.661840  0.371178  1
  H  H20  1  0.915648  0.937668  0.359344  1
  H  H21  1  0.507972  0.161840  0.371178  1
  H  H22  1  0.508040  0.437668  0.359344  1
  H  H23  1  0.416543  0.711768  0.347287  1
  H  H24  1  0.415182  0.886255  0.383056  1
  H  H25  1  1.008646  0.110994  0.394981  1
  H  H26  1  1.009002  0.285290  0.430628  1
  H  H27  1  0.914817  0.560285  0.418739  1
  H  H28  1  0.914857  0.835880  0.406850  1
  H  H29  1  0.508872  0.060285  0.418739  1
  H  H30  1  0.508832  0.335880  0.406850  1
  H  H31  1  0.415042  0.610994  0.394981  1
  H  H32  1  0.414686  0.785290  0.430628  1
  H  H33  1  1.009017  0.009765  0.442516  1
  H  H34  1  1.009017  0.184117  0.478166  1
  H  H35  1  0.914626  0.459201  0.466292  1
  H  H36  1  0.914626  0.734682  0.454390  1
  H  H37  1  0.509063  -0.040799  0.466292  1
  H  H38  1  0.509063  0.234682  0.454390  1
  H  H39  1  0.414672  0.509765  0.442516  1
  H  H40  1  0.414672  0.684117  0.478166  1
  H  H41  1  1.009002  0.908593  0.490055  1
  H  H42  1  1.008646  0.082889  0.525701  1
  H  H43  1  0.914857  0.358003  0.513832  1
  H  H44  1  0.914817  0.633597  0.501944  1
  H  H45  1  0.508832  0.858003  0.513832  1
  H  H46  1  0.508872  0.133597  0.501944  1
  H  H47  1  0.414686  0.408593  0.490055  1
  H  H48  1  0.415042  0.582889  0.525701  1
  H  H49  1  1.008507  0.807627  0.537627  1
  H  H50  1  1.007145  -0.017885  0.573395  1
  H  H51  1  0.915648  0.256215  0.561338  1
  H  H52  1  0.915716  0.532043  0.549504  1
  H  H53  1  0.508040  0.756215  0.561338  1
  H  H54  1  0.507972  0.032043  0.549504  1
  H  H55  1  0.415182  0.307627  0.537627  1
  H  H56  1  0.416543  0.482115  0.573395  1
  H  H57  1  1.007093  0.706310  0.585080  1
  H  H58  1  1.001878  0.880426  0.620774  1
  H  H59  1  0.918249  0.157124  0.609102  1
  H  H60  1  0.917571  0.430218  0.596767  1
  H  H61  1  0.505439  0.657124  0.609102  1
  H  H62  1  0.506117  0.930218  0.596767  1
  H  H63  1  0.416595  0.206310  0.585080  1
  H  H64  1  0.421810  0.380426  0.620774  1
  H  H65  1  1.002865  0.602767  0.631752  1
  H  H66  1  0.999419  0.751627  0.669454  1
  H  H67  1  0.926774  0.046447  0.657908  1
  H  H68  1  0.925718  0.331568  0.645408  1
  H  H69  1  0.496914  0.546447  0.657908  1
  H  H70  1  0.497970  0.831568  0.645408  1
  H  H71  1  0.420823  0.102767  0.631752  1
  H  H72  1  0.424269  0.251627  0.669454  1
