# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27645654
_cell_length_b   12.20100964
_cell_length_c   48.53358462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1348.02362361
_cell_formula_units_Z   33
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  0.505903  0.349310  0.296989  1
  H  H2  1  0.005903  0.702574  0.284158  1
  H  H3  1  0.505903  0.056588  0.271335  1
  H  H4  1  0.505903  0.531643  0.286434  1
  H  H5  1  0.005903  0.884684  0.273466  1
  H  H6  1  0.005903  0.180605  0.300216  1
  H  H7  1  0.005903  0.294424  0.337871  1
  H  H8  1  0.505903  0.645821  0.324565  1
  H  H9  1  0.005903  0.997428  0.311730  1
  H  H10  1  0.005903  0.475992  0.326810  1
  H  H11  1  0.505903  0.828190  0.313775  1
  H  H12  1  0.505903  0.124259  0.340141  1
  H  H13  1  0.505903  0.237518  0.377803  1
  H  H14  1  0.005903  0.589392  0.364458  1
  H  H15  1  0.505903  0.941588  0.351397  1
  H  H16  1  0.505903  0.419858  0.366721  1
  H  H17  1  0.005903  0.771683  0.353470  1
  H  H18  1  0.005903  0.067725  0.380091  1
  H  H19  1  0.005903  0.181030  0.417833  1
  H  H20  1  0.505903  0.533068  0.404496  1
  H  H21  1  0.005903  0.885118  0.391271  1
  H  H22  1  0.005903  0.363357  0.406711  1
  H  H23  1  0.505903  0.715336  0.393414  1
  H  H24  1  0.505903  0.011223  0.420079  1
  H  H25  1  0.505903  0.124563  0.457844  1
  H  H26  1  0.005903  0.476642  0.444509  1
  H  H27  1  0.505903  0.828734  0.431221  1
  H  H28  1  0.505903  0.306933  0.446727  1
  H  H29  1  0.005903  0.658998  0.433411  1
  H  H30  1  0.005903  0.954784  0.460068  1
  H  H31  1  0.005903  0.068131  0.497845  1
  H  H32  1  0.505903  0.420219  0.484518  1
  H  H33  1  0.005903  0.772345  0.471199  1
  H  H34  1  0.005903  0.250498  0.486735  1
  H  H35  1  0.505903  0.602586  0.473407  1
  H  H36  1  0.505903  0.898371  0.500054  1
  H  H37  1  0.505903  0.011719  0.537841  1
  H  H38  1  0.005903  0.363784  0.524526  1
  H  H39  1  0.505903  0.715933  0.511185  1
  H  H40  1  0.505903  0.194075  0.526744  1
  H  H41  1  0.005903  0.546154  0.513409  1
  H  H42  1  0.005903  0.841982  0.540032  1
  H  H43  1  0.005903  0.955380  0.577838  1
  H  H44  1  0.505903  0.307360  0.564541  1
  H  H45  1  0.005903  0.659494  0.551173  1
  H  H46  1  0.005903  0.137648  0.566757  1
  H  H47  1  0.505903  0.489687  0.553419  1
  H  H48  1  0.505903  0.785599  0.579981  1
  H  H49  1  0.505903  0.899034  0.617782  1
  H  H50  1  0.005903  0.250859  0.604531  1
  H  H51  1  0.505903  0.602992  0.591161  1
  H  H52  1  0.505903  0.081325  0.606794  1
  H  H53  1  0.005903  0.433198  0.593449  1
  H  H54  1  0.005903  0.729128  0.619855  1
  H  H55  1  0.005903  0.842526  0.657477  1
  H  H56  1  0.505903  0.194725  0.644442  1
  H  H57  1  0.005903  0.546458  0.631112  1
  H  H58  1  0.005903  0.024896  0.646687  1
  H  H59  1  0.505903  0.376292  0.633381  1
  H  H60  1  0.505903  0.673289  0.659522  1
  H  H61  1  0.505903  0.786032  0.697786  1
  H  H62  1  0.005903  0.139074  0.684819  1
  H  H63  1  0.505903  0.490112  0.671037  1
  H  H64  1  0.505903  0.968142  0.687094  1
  H  H65  1  0.005903  0.321406  0.674264  1
  H  H66  1  0.005903  0.614128  0.699918  1
