# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.06308537
_cell_length_b   7.45707137
_cell_length_c   46.26773031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.73587602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   4521.73430705
_cell_formula_units_Z   24
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  0.368807  0.882206  0.294753  1
  H  H2  1  0.648522  0.827685  0.313272  1
  H  H3  1  0.928238  0.773164  0.331790  1
  H  H4  1  0.302377  0.427640  0.279321  1
  H  H5  1  0.582092  0.373119  0.297840  1
  H  H6  1  0.861808  0.318598  0.316358  1
  H  H7  1  0.207953  0.718643  0.350309  1
  H  H8  1  0.487669  0.664122  0.368827  1
  H  H9  1  0.767385  0.609600  0.387346  1
  H  H10  1  0.141524  0.264077  0.334877  1
  H  H11  1  0.421239  0.209556  0.353395  1
  H  H12  1  0.700955  0.155035  0.371914  1
  H  H13  1  0.047100  0.555079  0.405864  1
  H  H14  1  0.326816  0.500558  0.424383  1
  H  H15  1  0.606531  0.446037  0.442901  1
  H  H16  1  0.980670  0.100514  0.390432  1
  H  H17  1  0.260386  0.045992  0.408951  1
  H  H18  1  0.540102  0.991471  0.427469  1
  H  H19  1  0.886247  0.391516  0.461420  1
  H  H20  1  0.165963  0.336995  0.479938  1
  H  H21  1  0.445678  0.282474  0.498457  1
  H  H22  1  0.819817  0.936950  0.445988  1
  H  H23  1  0.099533  0.882429  0.464506  1
  H  H24  1  0.379248  0.827908  0.483025  1
  H  H25  1  0.725394  0.227953  0.516975  1
  H  H26  1  0.005109  0.173432  0.535494  1
  H  H27  1  0.284825  0.118911  0.554012  1
  H  H28  1  0.658964  0.773387  0.501543  1
  H  H29  1  0.938680  0.718866  0.520062  1
  H  H30  1  0.218395  0.664345  0.538580  1
  H  H31  1  0.564540  0.064389  0.572531  1
  H  H32  1  0.844256  0.009868  0.591049  1
  H  H33  1  0.123972  0.955347  0.609568  1
  H  H34  1  0.498111  0.609824  0.557099  1
  H  H35  1  0.777826  0.555303  0.575617  1
  H  H36  1  0.057542  0.500782  0.594136  1
  H  H37  1  0.403687  0.900826  0.628086  1
  H  H38  1  0.683403  0.846305  0.646605  1
  H  H39  1  0.963118  0.791784  0.665123  1
  H  H40  1  0.337258  0.446260  0.612654  1
  H  H41  1  0.616973  0.391739  0.631173  1
  H  H42  1  0.896689  0.337218  0.649691  1
  H  H43  1  0.242834  0.737263  0.683642  1
  H  H44  1  0.522550  0.682742  0.702160  1
  H  H45  1  0.802265  0.628221  0.720679  1
  H  H46  1  0.176404  0.282697  0.668210  1
  H  H47  1  0.456120  0.228176  0.686728  1
  H  H48  1  0.735836  0.173655  0.705247  1
