# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29455252
_cell_length_b   9.75421633
_cell_length_c   46.40736229
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.26659642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H52
_cell_volume   1031.50497929
_cell_formula_units_Z   26
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  0.705790  0.594617  0.276661  1
  H  H2  1  0.978352  0.049631  0.290506  1
  H  H3  1  0.584329  0.837525  0.278825  1
  H  H4  1  0.858792  0.288244  0.294681  1
  H  H5  1  0.263597  0.478861  0.312745  1
  H  H6  1  0.543056  0.920009  0.326164  1
  H  H7  1  0.145411  0.715231  0.314716  1
  H  H8  1  0.425294  0.155355  0.330136  1
  H  H9  1  0.828268  0.349477  0.345698  1
  H  H10  1  0.106543  0.792865  0.361562  1
  H  H11  1  0.707813  0.590315  0.349535  1
  H  H12  1  0.988973  0.027915  0.364907  1
  H  H13  1  0.390971  0.223974  0.379619  1
  H  H14  1  0.670550  0.664739  0.396612  1
  H  H15  1  0.271589  0.462671  0.383142  1
  H  H16  1  0.552136  0.901471  0.399870  1
  H  H17  1  0.953430  0.098914  0.413919  1
  H  H18  1  0.234301  0.537119  0.431041  1
  H  H19  1  0.834372  0.336984  0.417262  1
  H  H20  1  0.115253  0.775127  0.434542  1
  H  H21  1  0.516021  0.973605  0.448387  1
  H  H22  1  0.797469  0.410654  0.465458  1
  H  H23  1  0.397069  0.211454  0.451608  1
  H  H24  1  0.678387  0.648743  0.468868  1
  H  H25  1  0.078868  0.847787  0.482798  1
  H  H26  1  0.360377  0.284708  0.499909  1
  H  H27  1  0.959835  0.085788  0.486068  1
  H  H28  1  0.241344  0.522709  0.503179  1
  H  H29  1  0.641825  0.721753  0.517109  1
  H  H30  1  0.923143  0.159042  0.534369  1
  H  H31  1  0.522743  0.959841  0.520519  1
  H  H32  1  0.804191  0.396891  0.537591  1
  H  H33  1  0.204959  0.595369  0.551435  1
  H  H34  1  0.485840  0.033512  0.568715  1
  H  H35  1  0.085910  0.833377  0.554936  1
  H  H36  1  0.366782  0.271582  0.572058  1
  H  H37  1  0.768075  0.469025  0.586107  1
  H  H38  1  0.048623  0.907825  0.602836  1
  H  H39  1  0.649662  0.705757  0.589365  1
  H  H40  1  0.929241  0.146522  0.606358  1
  H  H41  1  0.331239  0.342581  0.621071  1
  H  H42  1  0.612399  0.780181  0.636442  1
  H  H43  1  0.213669  0.577630  0.624416  1
  H  H44  1  0.491944  0.021019  0.640280  1
  H  H45  1  0.894918  0.215141  0.655841  1
  H  H46  1  0.174801  0.655264  0.671261  1
  H  H47  1  0.777155  0.450487  0.659814  1
  H  H48  1  0.056614  0.891635  0.673232  1
  H  H49  1  0.461420  0.082251  0.691296  1
  H  H50  1  0.735883  0.532971  0.707152  1
  H  H51  1  0.341860  0.320865  0.695471  1
  H  H52  1  0.614422  0.775878  0.709316  1
