# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94018557
_cell_length_b   8.48434725
_cell_length_c   46.60440237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.60893890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H72
_cell_volume   1515.62228975
_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  0.495434  0.532360  0.296309  1
  H  H2  1  0.742422  0.042140  0.285760  1
  H  H3  1  0.474538  0.819543  0.277724  1
  H  H4  1  0.978550  0.288620  0.288516  1
  H  H5  1  0.009819  0.500916  0.322331  1
  H  H6  1  0.244889  0.018833  0.311787  1
  H  H7  1  0.005944  0.768968  0.301910  1
  H  H8  1  0.478755  0.265457  0.313889  1
  H  H9  1  0.537454  0.465870  0.347277  1
  H  H10  1  0.758002  0.979130  0.335573  1
  H  H11  1  0.527811  0.749079  0.326714  1
  H  H12  1  0.974639  0.235442  0.338274  1
  H  H13  1  0.080711  0.433421  0.373035  1
  H  H14  1  0.252929  0.946725  0.360837  1
  H  H15  1  0.065818  0.714019  0.350305  1
  H  H16  1  0.472765  0.193648  0.361224  1
  H  H17  1  0.618578  0.416963  0.398915  1
  H  H18  1  0.736108  0.920881  0.386268  1
  H  H19  1  0.610740  0.677036  0.373312  1
  H  H20  1  0.956498  0.167087  0.384982  1
  H  H21  1  0.142491  0.424527  0.424906  1
  H  H22  1  0.204920  0.919310  0.412380  1
  H  H23  1  0.147568  0.662059  0.397402  1
  H  H24  1  0.431150  0.162651  0.408861  1
  H  H25  1  0.654218  0.450459  0.450517  1
  H  H26  1  0.671477  0.936736  0.437993  1
  H  H27  1  0.665944  0.673414  0.421144  1
  H  H28  1  0.895421  0.185730  0.433105  1
  H  H29  1  0.167890  0.471988  0.475645  1
  H  H30  1  0.134030  0.961917  0.463255  1
  H  H31  1  0.177021  0.695602  0.445561  1
  H  H32  1  0.365747  0.204830  0.457571  1
  H  H33  1  0.683699  0.495259  0.500918  1
  H  H34  1  0.596972  0.984099  0.488460  1
  H  H35  1  0.689503  0.716162  0.470116  1
  H  H36  1  0.829883  0.227088  0.482368  1
  H  H37  1  0.198896  0.516721  0.525827  1
  H  H38  1  0.058516  0.005795  0.513574  1
  H  H39  1  0.204700  0.737624  0.495024  1
  H  H40  1  0.291427  0.248784  0.507482  1
  H  H41  1  0.711378  0.537281  0.550382  1
  H  H42  1  0.522652  0.028053  0.538372  1
  H  H43  1  0.720509  0.760895  0.520298  1
  H  H44  1  0.754369  0.270966  0.532688  1
  H  H45  1  0.222455  0.559469  0.574799  1
  H  H46  1  0.992978  0.047153  0.562838  1
  H  H47  1  0.234181  0.782424  0.545426  1
  H  H48  1  0.216922  0.296147  0.557950  1
  H  H49  1  0.740831  0.570824  0.598541  1
  H  H50  1  0.457249  0.070232  0.587082  1
  H  H51  1  0.745908  0.808356  0.571037  1
  H  H52  1  0.683479  0.313573  0.583562  1
  H  H53  1  0.277660  0.555847  0.622630  1
  H  H54  1  0.931901  0.065796  0.610960  1
  H  H55  1  0.269821  0.815920  0.597027  1
  H  H56  1  0.152291  0.312002  0.609674  1
  H  H57  1  0.822582  0.518864  0.645638  1
  H  H58  1  0.415634  0.039235  0.634718  1
  H  H59  1  0.807689  0.799462  0.622908  1
  H  H60  1  0.635470  0.286158  0.635106  1
  H  H61  1  0.360589  0.483804  0.669228  1
  H  H62  1  0.913760  0.997441  0.657669  1
  H  H63  1  0.350945  0.767014  0.648666  1
  H  H64  1  0.130397  0.253754  0.660370  1
  H  H65  1  0.882455  0.463915  0.694033  1
  H  H66  1  0.409645  0.967426  0.682054  1
  H  H67  1  0.878581  0.731968  0.673612  1
  H  H68  1  0.643510  0.214050  0.684156  1
  H  H69  1  0.413861  0.413340  0.718219  1
  H  H70  1  0.909849  0.944263  0.707427  1
  H  H71  1  0.392966  0.700523  0.699633  1
  H  H72  1  0.145977  0.190743  0.710183  1
