# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82690889
_cell_length_b   9.97434391
_cell_length_c   47.31182071
_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   H90
_cell_volume   1805.93503032
_cell_formula_units_Z   45
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  0.753260  0.201098  0.298633  1
  H  H2  1  0.753260  0.972357  0.278171  1
  H  H3  1  0.753260  0.583664  0.286630  1
  H  H4  1  0.253260  0.347281  0.292632  1
  H  H5  1  0.253260  0.117439  0.276137  1
  H  H6  1  0.253260  0.739827  0.282984  1
  H  H7  1  0.753260  0.017136  0.328640  1
  H  H8  1  0.753260  0.797641  0.309328  1
  H  H9  1  0.753260  0.409928  0.319065  1
  H  H10  1  0.253260  0.156336  0.325189  1
  H  H11  1  0.253260  0.940756  0.307002  1
  H  H12  1  0.253260  0.554095  0.314619  1
  H  H13  1  0.753260  0.833853  0.358231  1
  H  H14  1  0.753260  0.619900  0.338852  1
  H  H15  1  0.753260  0.227261  0.348826  1
  H  H16  1  0.253260  0.970073  0.355276  1
  H  H17  1  0.253260  0.758384  0.335628  1
  H  H18  1  0.253260  0.365369  0.344263  1
  H  H19  1  0.753260  0.649172  0.387679  1
  H  H20  1  0.753260  0.437281  0.368474  1
  H  H21  1  0.753260  0.043848  0.378133  1
  H  H22  1  0.253260  0.783157  0.384313  1
  H  H23  1  0.253260  0.572760  0.364484  1
  H  H24  1  0.253260  0.179456  0.374454  1
  H  H25  1  0.753260  0.464428  0.417142  1
  H  H26  1  0.753260  0.253529  0.397998  1
  H  H27  1  0.753260  0.859504  0.407216  1
  H  H28  1  0.253260  0.597437  0.413315  1
  H  H29  1  0.253260  0.387677  0.393735  1
  H  H30  1  0.253260  0.993195  0.403915  1
  H  H31  1  0.753260  0.279760  0.446598  1
  H  H32  1  0.753260  0.069241  0.427076  1
  H  H33  1  0.753260  0.674807  0.436434  1
  H  H34  1  0.253260  0.412595  0.442621  1
  H  H35  1  0.253260  0.202688  0.423361  1
  H  H36  1  0.253260  0.807663  0.433007  1
  H  H37  1  0.753260  0.095047  0.475756  1
  H  H38  1  0.753260  0.884769  0.456065  1
  H  H39  1  0.753260  0.490128  0.465812  1
  H  H40  1  0.253260  0.227830  0.472086  1
  H  H41  1  0.253260  0.017707  0.452668  1
  H  H42  1  0.253260  0.622787  0.462110  1
  H  H43  1  0.753260  0.910429  0.504820  1
  H  H44  1  0.753260  0.700248  0.485201  1
  H  H45  1  0.753260  0.305385  0.495238  1
  H  H46  1  0.253260  0.043175  0.501398  1
  H  H47  1  0.253260  0.832994  0.481779  1
  H  H48  1  0.253260  0.438038  0.491361  1
  H  H49  1  0.753260  0.725716  0.533931  1
  H  H50  1  0.753260  0.515593  0.514513  1
  H  H51  1  0.753260  0.120636  0.524489  1
  H  H52  1  0.253260  0.858654  0.530534  1
  H  H53  1  0.253260  0.648376  0.510843  1
  H  H54  1  0.253260  0.253295  0.520787  1
  H  H55  1  0.753260  0.540735  0.563238  1
  H  H56  1  0.753260  0.330828  0.543978  1
  H  H57  1  0.753260  0.935760  0.553592  1
  H  H58  1  0.253260  0.674183  0.559524  1
  H  H59  1  0.253260  0.463664  0.540001  1
  H  H60  1  0.253260  0.068617  0.550165  1
  H  H61  1  0.753260  0.355746  0.592864  1
  H  H62  1  0.753260  0.145986  0.573284  1
  H  H63  1  0.753260  0.750229  0.582684  1
  H  H64  1  0.253260  0.489895  0.588601  1
  H  H65  1  0.253260  0.278996  0.569457  1
  H  H66  1  0.253260  0.883919  0.579383  1
  H  H67  1  0.753260  0.170663  0.622115  1
  H  H68  1  0.753260  0.960266  0.602286  1
  H  H69  1  0.753260  0.563968  0.612145  1
  H  H70  1  0.253260  0.306142  0.618125  1
  H  H71  1  0.253260  0.094251  0.598920  1
  H  H72  1  0.253260  0.699576  0.608466  1
  H  H73  1  0.753260  0.985040  0.650971  1
  H  H74  1  0.753260  0.773350  0.631323  1
  H  H75  1  0.753260  0.378054  0.642336  1
  H  H76  1  0.253260  0.123523  0.647747  1
  H  H77  1  0.253260  0.909570  0.628368  1
  H  H78  1  0.253260  0.516163  0.637774  1
  H  H79  1  0.753260  0.802667  0.679597  1
  H  H80  1  0.753260  0.587088  0.661410  1
  H  H81  1  0.753260  0.189329  0.671980  1
  H  H82  1  0.253260  0.945782  0.677271  1
  H  H83  1  0.253260  0.726288  0.657959  1
  H  H84  1  0.253260  0.333495  0.667534  1
  H  H85  1  0.753260  0.625985  0.710462  1
  H  H86  1  0.753260  0.396143  0.693967  1
  H  H87  1  0.753260  0.003596  0.703615  1
  H  H88  1  0.253260  0.771066  0.708428  1
  H  H89  1  0.253260  0.542325  0.687966  1
  H  H90  1  0.253260  0.159759  0.699969  1
