# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48047636
_cell_length_b   8.02016767
_cell_length_c   47.11338855
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.50560006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1678.51849782
_cell_formula_units_Z   40
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  0.360066  0.414607  0.327947  1
  H  H2  1  0.289040  0.690992  0.316807  1
  H  H3  1  0.973770  0.949874  0.303196  1
  H  H4  1  1.155709  0.220209  0.297778  1
  H  H5  1  0.860066  0.414607  0.327947  1
  H  H6  1  0.789040  0.690992  0.316807  1
  H  H7  1  0.473770  0.949874  0.303196  1
  H  H8  1  0.655709  0.220209  0.297778  1
  H  H9  1  1.130854  0.323865  0.370344  1
  H  H10  1  1.063694  0.596014  0.359757  1
  H  H11  1  0.997812  0.868169  0.349839  1
  H  H12  1  0.923878  0.139216  0.339844  1
  H  H13  1  0.630854  0.323865  0.370344  1
  H  H14  1  0.563694  0.596014  0.359757  1
  H  H15  1  0.497812  0.868169  0.349839  1
  H  H16  1  0.423878  0.139216  0.339844  1
  H  H17  1  0.903909  0.232421  0.412522  1
  H  H18  1  0.835744  0.504757  0.401918  1
  H  H19  1  0.768201  0.777025  0.391603  1
  H  H20  1  0.699598  0.050348  0.381353  1
  H  H21  1  0.403909  0.232421  0.412522  1
  H  H22  1  0.335744  0.504757  0.401918  1
  H  H23  1  0.268201  0.777025  0.391603  1
  H  H24  1  0.199598  0.050348  0.381353  1
  H  H25  1  0.676241  0.141098  0.454621  1
  H  H26  1  0.608130  0.413795  0.444088  1
  H  H27  1  0.539992  0.686296  0.433611  1
  H  H28  1  0.472061  -0.040821  0.423160  1
  H  H29  1  0.176241  0.141098  0.454621  1
  H  H30  1  1.108130  0.413795  0.444088  1
  H  H31  1  1.039992  0.686296  0.433611  1
  H  H32  1  0.972061  -0.040821  0.423160  1
  H  H33  1  0.448470  0.050024  0.496704  1
  H  H34  1  0.380401  0.322767  0.486185  1
  H  H35  1  0.312291  0.595457  0.475688  1
  H  H36  1  0.244253  0.868210  0.465177  1
  H  H37  1  0.948470  0.050024  0.496704  1
  H  H38  1  0.880401  0.322767  0.486185  1
  H  H39  1  0.812291  0.595457  0.475688  1
  H  H40  1  0.744253  0.868210  0.465177  1
  H  H41  1  0.220715  -0.040961  0.538774  1
  H  H42  1  1.152677  0.231793  0.528264  1
  H  H43  1  1.084568  0.504482  0.517766  1
  H  H44  1  1.016498  0.777225  0.507247  1
  H  H45  1  0.720715  -0.040961  0.538774  1
  H  H46  1  0.652677  0.231793  0.528264  1
  H  H47  1  0.584568  0.504482  0.517766  1
  H  H48  1  0.516498  0.777225  0.507247  1
  H  H49  1  0.992908  0.868071  0.580791  1
  H  H50  1  0.924976  0.140954  0.570340  1
  H  H51  1  0.856838  0.413455  0.559863  1
  H  H52  1  0.788727  0.686151  0.549330  1
  H  H53  1  0.492908  0.868071  0.580791  1
  H  H54  1  0.424976  0.140954  0.570340  1
  H  H55  1  0.356838  0.413455  0.559863  1
  H  H56  1  0.288727  0.686151  0.549330  1
  H  H57  1  0.765370  0.776902  0.622598  1
  H  H58  1  0.696767  0.050224  0.612348  1
  H  H59  1  0.629224  0.322492  0.602033  1
  H  H60  1  0.561060  0.594828  0.591429  1
  H  H61  1  0.265370  0.776902  0.622598  1
  H  H62  1  0.196767  0.050224  0.612348  1
  H  H63  1  1.129224  0.322492  0.602033  1
  H  H64  1  1.061060  0.594828  0.591429  1
  H  H65  1  0.541091  0.688034  0.664108  1
  H  H66  1  0.467156  -0.040920  0.654113  1
  H  H67  1  0.401274  0.231235  0.644194  1
  H  H68  1  0.334115  0.503384  0.633607  1
  H  H69  1  1.041091  0.688034  0.664108  1
  H  H70  1  0.967156  -0.040920  0.654113  1
  H  H71  1  0.901274  0.231235  0.644194  1
  H  H72  1  0.834115  0.503384  0.633607  1
  H  H73  1  0.309260  0.607041  0.706173  1
  H  H74  1  0.491198  0.877375  0.700756  1
  H  H75  1  0.175929  0.136257  0.687144  1
  H  H76  1  1.104902  0.412642  0.676004  1
  H  H77  1  0.809260  0.607041  0.706173  1
  H  H78  1  0.991198  0.877375  0.700756  1
  H  H79  1  0.675929  0.136257  0.687144  1
  H  H80  1  0.604902  0.412642  0.676004  1
