# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12433186
_cell_length_b   4.28565074
_cell_length_c   46.43278497
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.48747979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1496.58540231
_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  0.770436  0.447415  0.281152  1
  H  H2  1  0.103769  0.447415  0.281152  1
  H  H3  1  0.079459  0.053652  0.310907  1
  H  H4  1  0.437103  0.447415  0.281152  1
  H  H5  1  0.412793  0.053652  0.310907  1
  H  H6  1  0.425968  0.267053  0.294781  1
  H  H7  1  0.746126  0.053652  0.310907  1
  H  H8  1  0.759301  0.267053  0.294781  1
  H  H9  1  0.092634  0.267053  0.294781  1
  H  H10  1  0.734045  0.857967  0.325694  1
  H  H11  1  0.067378  0.857967  0.325694  1
  H  H12  1  0.042532  0.455518  0.356104  1
  H  H13  1  0.400712  0.857967  0.325694  1
  H  H14  1  0.375866  0.455518  0.356104  1
  H  H15  1  0.388180  0.654985  0.341032  1
  H  H16  1  0.709199  0.455518  0.356104  1
  H  H17  1  0.721513  0.654985  0.341032  1
  H  H18  1  0.054847  0.654985  0.341032  1
  H  H19  1  0.696786  0.254453  0.371298  1
  H  H20  1  0.030119  0.254453  0.371298  1
  H  H21  1  0.005364  0.853475  0.401598  1
  H  H22  1  0.363452  0.254453  0.371298  1
  H  H23  1  0.338697  0.853475  0.401598  1
  H  H24  1  0.351085  0.054137  0.386435  1
  H  H25  1  0.672030  0.853475  0.401598  1
  H  H26  1  0.684419  0.054137  0.386435  1
  H  H27  1  0.017752  0.054137  0.386435  1
  H  H28  1  0.659652  0.652974  0.416748  1
  H  H29  1  0.992985  0.652974  0.416748  1
  H  H30  1  0.968221  0.251857  0.447059  1
  H  H31  1  0.326319  0.652974  0.416748  1
  H  H32  1  0.301555  0.251857  0.447059  1
  H  H33  1  0.313936  0.452398  0.431905  1
  H  H34  1  0.634888  0.251857  0.447059  1
  H  H35  1  0.647269  0.452398  0.431905  1
  H  H36  1  0.980602  0.452398  0.431905  1
  H  H37  1  0.622506  0.051300  0.462214  1
  H  H38  1  0.955839  0.051300  0.462214  1
  H  H39  1  0.931076  0.650197  0.492523  1
  H  H40  1  0.289173  0.051300  0.462214  1
  H  H41  1  0.264410  0.650197  0.492523  1
  H  H42  1  0.276791  0.850750  0.477368  1
  H  H43  1  0.597743  0.650197  0.492523  1
  H  H44  1  0.610125  0.850750  0.477368  1
  H  H45  1  0.943458  0.850750  0.477368  1
  H  H46  1  0.585362  0.449645  0.507678  1
  H  H47  1  0.918695  0.449645  0.507678  1
  H  H48  1  0.893932  0.048542  0.537987  1
  H  H49  1  0.252028  0.449645  0.507678  1
  H  H50  1  0.227265  0.048542  0.537987  1
  H  H51  1  0.239647  0.249092  0.522832  1
  H  H52  1  0.560598  0.048542  0.537987  1
  H  H53  1  0.572980  0.249092  0.522832  1
  H  H54  1  0.906313  0.249092  0.522832  1
  H  H55  1  0.548217  0.847985  0.553142  1
  H  H56  1  0.881550  0.847985  0.553142  1
  H  H57  1  0.856786  0.446868  0.583452  1
  H  H58  1  0.214883  0.847985  0.553142  1
  H  H59  1  0.190119  0.446868  0.583452  1
  H  H60  1  0.202502  0.647444  0.568296  1
  H  H61  1  0.523453  0.446868  0.583452  1
  H  H62  1  0.535836  0.647444  0.568296  1
  H  H63  1  0.869169  0.647444  0.568296  1
  H  H64  1  0.511074  0.246367  0.598603  1
  H  H65  1  0.844408  0.246367  0.598603  1
  H  H66  1  0.819652  0.845388  0.628903  1
  H  H67  1  0.177741  0.246367  0.598603  1
  H  H68  1  0.152986  0.845388  0.628903  1
  H  H69  1  0.165353  0.045705  0.613766  1
  H  H70  1  0.486319  0.845388  0.628903  1
  H  H71  1  0.498686  0.045705  0.613766  1
  H  H72  1  0.832019  0.045705  0.613766  1
  H  H73  1  0.473906  0.644324  0.644096  1
  H  H74  1  0.807239  0.644324  0.644096  1
  H  H75  1  0.782393  0.241875  0.674507  1
  H  H76  1  0.140572  0.644324  0.644096  1
  H  H77  1  0.115726  0.241875  0.674507  1
  H  H78  1  0.128258  0.444857  0.659169  1
  H  H79  1  0.449059  0.241875  0.674507  1
  H  H80  1  0.461591  0.444857  0.659169  1
  H  H81  1  0.794924  0.444857  0.659169  1
  H  H82  1  0.436978  0.046190  0.689294  1
  H  H83  1  0.770312  0.046190  0.689294  1
  H  H84  1  0.746002  0.652427  0.719048  1
  H  H85  1  0.103645  0.046190  0.689294  1
  H  H86  1  0.079335  0.652427  0.719048  1
  H  H87  1  0.090470  0.832789  0.705420  1
  H  H88  1  0.412669  0.652427  0.719048  1
  H  H89  1  0.423804  0.832789  0.705420  1
  H  H90  1  0.757137  0.832789  0.705420  1
