# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61216353
_cell_length_b   3.04625472
_cell_length_c   46.82711856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.83783540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H63
_cell_volume   1065.64831745
_cell_formula_units_Z   31
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  0.781621  0.861871  0.295597  1
  H  H2  1  0.445528  0.817163  0.288504  1
  H  H3  1  0.109434  0.772454  0.281412  1
  H  H4  1  0.789071  0.982547  0.314740  1
  H  H5  1  0.452978  0.937839  0.307647  1
  H  H6  1  0.116884  0.893130  0.300555  1
  H  H7  1  0.797886  0.125329  0.337389  1
  H  H8  1  0.461793  0.080620  0.330297  1
  H  H9  1  0.125699  0.035912  0.323205  1
  H  H10  1  0.805970  0.256257  0.358159  1
  H  H11  1  0.469876  0.211548  0.351067  1
  H  H12  1  0.133783  0.166840  0.343974  1
  H  H13  1  0.814354  0.392068  0.379703  1
  H  H14  1  0.478261  0.347359  0.372610  1
  H  H15  1  0.142167  0.302651  0.365518  1
  H  H16  1  0.822594  0.525527  0.400874  1
  H  H17  1  0.486500  0.480818  0.393781  1
  H  H18  1  0.150407  0.436110  0.386689  1
  H  H19  1  0.830899  0.660054  0.422214  1
  H  H20  1  0.494805  0.615345  0.415122  1
  H  H21  1  0.158712  0.570637  0.408029  1
  H  H22  1  0.839173  0.794082  0.443475  1
  H  H23  1  0.503080  0.749373  0.436383  1
  H  H24  1  0.166986  0.704665  0.429291  1
  H  H25  1  0.847462  0.928338  0.464772  1
  H  H26  1  0.511369  0.883630  0.457680  1
  H  H27  1  0.175275  0.838921  0.450588  1
  H  H28  1  0.855744  0.062492  0.486054  1
  H  H29  1  0.519651  0.017784  0.478961  1
  H  H30  1  0.183557  0.973075  0.471869  1
  H  H31  1  0.864029  0.196686  0.507341  1
  H  H32  1  0.527936  0.151977  0.500249  1
  H  H33  1  0.191842  0.107269  0.493156  1
  H  H34  1  0.872314  0.330879  0.528628  1
  H  H35  1  0.536220  0.286171  0.521536  1
  H  H36  1  0.200127  0.241462  0.514444  1
  H  H37  1  0.880596  0.465033  0.549909  1
  H  H38  1  0.544503  0.420325  0.542817  1
  H  H39  1  0.208409  0.375616  0.535725  1
  H  H40  1  0.888885  0.599290  0.571207  1
  H  H41  1  0.552791  0.554581  0.564115  1
  H  H42  1  0.216698  0.509873  0.557022  1
  H  H43  1  0.897159  0.733318  0.592468  1
  H  H44  1  0.561066  0.688609  0.585376  1
  H  H45  1  0.224972  0.643901  0.578284  1
  H  H46  1  0.905465  0.867845  0.613808  1
  H  H47  1  0.569371  0.823136  0.606716  1
  H  H48  1  0.233278  0.778428  0.599624  1
  H  H49  1  0.913704  0.001304  0.634979  1
  H  H50  1  0.577611  0.956595  0.627887  1
  H  H51  1  0.241517  0.911887  0.620795  1
  H  H52  1  0.922089  0.137115  0.656523  1
  H  H53  1  0.585995  0.092406  0.649431  1
  H  H54  1  0.249902  0.047698  0.642339  1
  H  H55  1  0.930172  0.268043  0.677292  1
  H  H56  1  0.594078  0.223334  0.670200  1
  H  H57  1  0.257985  0.178626  0.663108  1
  H  H58  1  0.938987  0.410824  0.699942  1
  H  H59  1  0.602893  0.366116  0.692850  1
  H  H60  1  0.266800  0.321407  0.685758  1
  H  H61  1  0.946437  0.531500  0.719085  1
  H  H62  1  0.610344  0.486792  0.711993  1
  H  H63  1  0.274250  0.442083  0.704901  1
