# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59549608
_cell_length_b   8.21822689
_cell_length_c   48.70735622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.88668572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1825.36395803
_cell_formula_units_Z   44
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  0.050004  0.318580  0.297167  1
  H  H2  1  0.550004  0.318580  0.297167  1
  H  H3  1  0.120765  0.048762  0.305803  1
  H  H4  1  0.620765  0.048762  0.305803  1
  H  H5  1  0.931749  0.804907  0.303043  1
  H  H6  1  0.431749  0.804907  0.303043  1
  H  H7  1  0.740377  0.562785  0.300508  1
  H  H8  1  0.240377  0.562785  0.300508  1
  H  H9  1  0.821872  0.226229  0.336128  1
  H  H10  1  0.321872  0.226229  0.336128  1
  H  H11  1  0.892546  0.951961  0.344352  1
  H  H12  1  0.392546  0.951961  0.344352  1
  H  H13  1  0.703500  0.708786  0.341477  1
  H  H14  1  0.203500  0.708786  0.341477  1
  H  H15  1  0.511796  0.467963  0.338770  1
  H  H16  1  1.011796  0.467963  0.338770  1
  H  H17  1  0.594206  0.130861  0.373844  1
  H  H18  1  0.094206  0.130861  0.373844  1
  H  H19  1  0.665093  0.855941  0.382194  1
  H  H20  1  0.165093  0.855941  0.382194  1
  H  H21  1  0.475776  0.613682  0.379184  1
  H  H22  1  0.975776  0.613682  0.379184  1
  H  H23  1  0.283632  0.373470  0.376661  1
  H  H24  1  0.783632  0.373470  0.376661  1
  H  H25  1  0.366637  0.035387  0.411631  1
  H  H26  1  0.866637  0.035387  0.411631  1
  H  H27  1  0.437685  0.760556  0.420141  1
  H  H28  1  0.937685  0.760556  0.420141  1
  H  H29  1  0.248264  0.518442  0.417135  1
  H  H30  1  0.748264  0.518442  0.417135  1
  H  H31  1  0.056144  0.277923  0.414595  1
  H  H32  1  0.556144  0.277923  0.414595  1
  H  H33  1  0.139086  0.940140  0.449487  1
  H  H34  1  0.639086  0.940140  0.449487  1
  H  H35  1  0.210090  0.665258  0.458088  1
  H  H36  1  0.710090  0.665258  0.458088  1
  H  H37  1  1.020648  0.423054  0.455071  1
  H  H38  1  0.520648  0.423054  0.455071  1
  H  H39  1  0.828580  0.182491  0.452504  1
  H  H40  1  0.328580  0.182491  0.452504  1
  H  H41  1  0.911496  0.844857  0.487391  1
  H  H42  1  0.411496  0.844857  0.487391  1
  H  H43  1  0.982509  0.569922  0.496008  1
  H  H44  1  0.482509  0.569922  0.496008  1
  H  H45  1  0.793031  0.327668  0.492989  1
  H  H46  1  0.293031  0.327668  0.492989  1
  H  H47  1  0.600975  0.087110  0.490411  1
  H  H48  1  0.100975  0.087110  0.490411  1
  H  H49  1  0.683916  0.749521  0.525312  1
  H  H50  1  0.183916  0.749521  0.525312  1
  H  H51  1  0.754920  0.474639  0.533912  1
  H  H52  1  0.254920  0.474639  0.533912  1
  H  H53  1  0.565425  0.232287  0.530896  1
  H  H54  1  0.065425  0.232287  0.530896  1
  H  H55  1  0.373358  -0.008275  0.528328  1
  H  H56  1  0.873358  -0.008275  0.528328  1
  H  H57  1  0.456321  0.654223  0.563259  1
  H  H58  1  0.956321  0.654223  0.563259  1
  H  H59  1  0.527368  0.379392  0.571768  1
  H  H60  1  1.027368  0.379392  0.571768  1
  H  H61  1  0.337861  0.136856  0.568805  1
  H  H62  1  0.837861  0.136856  0.568805  1
  H  H63  1  0.145741  0.896337  0.566265  1
  H  H64  1  0.645741  0.896337  0.566265  1
  H  H65  1  0.228912  0.558837  0.601206  1
  H  H66  1  0.728912  0.558837  0.601206  1
  H  H67  1  0.299800  0.283918  0.609555  1
  H  H68  1  0.799800  0.283918  0.609555  1
  H  H69  1  0.110373  0.041309  0.606739  1
  H  H70  1  0.610373  0.041309  0.606739  1
  H  H71  1  0.918229  0.801096  0.604216  1
  H  H72  1  0.418229  0.801096  0.604216  1
  H  H73  1  1.001459  0.462818  0.639048  1
  H  H74  1  0.501459  0.462818  0.639048  1
  H  H75  1  0.072133  0.188550  0.647272  1
  H  H76  1  0.572133  0.188550  0.647272  1
  H  H77  1  0.882209  0.946815  0.644629  1
  H  H78  1  0.382209  0.946815  0.644629  1
  H  H79  1  0.690506  0.705992  0.641923  1
  H  H80  1  0.190506  0.705992  0.641923  1
  H  H81  1  0.773241  0.366016  0.677597  1
  H  H82  1  0.273241  0.366016  0.677597  1
  H  H83  1  0.844002  0.096198  0.686233  1
  H  H84  1  0.344002  0.096198  0.686233  1
  H  H85  1  0.653629  0.851994  0.682891  1
  H  H86  1  0.153629  0.851994  0.682891  1
  H  H87  1  0.462256  0.609871  0.680356  1
  H  H88  1  0.962256  0.609871  0.680356  1
