# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.17763231
_cell_length_b   5.97424879
_cell_length_c   56.04516131
_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   H33
_cell_volume   729.13169964
_cell_formula_units_Z   16
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  0.185512  0.762213  0.234887  1
  H  H2  1  0.685499  0.475088  0.212888  1
  H  H3  1  0.185498  1.119426  0.220291  1
  H  H4  1  0.685553  0.687441  0.271613  1
  H  H5  1  0.185486  0.398716  0.249684  1
  H  H6  1  0.685526  1.049574  0.257397  1
  H  H7  1  0.186147  0.613795  0.308376  1
  H  H8  1  0.685372  0.326008  0.286154  1
  H  H9  1  0.185720  0.974745  0.293989  1
  H  H10  1  0.689158  0.539543  0.345127  1
  H  H11  1  0.184106  0.251963  0.322746  1
  H  H12  1  0.687900  0.900653  0.330871  1
  H  H13  1  0.192692  0.467539  0.381948  1
  H  H14  1  0.674044  0.178509  0.359258  1
  H  H15  1  0.199528  0.824497  0.367964  1
  H  H16  1  0.662422  0.381249  0.418035  1
  H  H17  1  0.133241  1.102127  0.395278  1
  H  H18  1  0.741704  0.750290  0.406286  1
  H  H19  1  0.904229  0.299037  0.455416  1
  H  H20  1  0.375019  1.019912  0.432662  1
  H  H21  1  0.295660  0.650885  0.444409  1
  H  H22  1  0.363579  0.222657  0.491430  1
  H  H23  1  0.844692  0.933620  0.468754  1
  H  H24  1  0.837783  0.576679  0.482730  1
  H  H25  1  0.853106  1.148970  0.527907  1
  H  H26  1  0.348075  0.861552  0.505586  1
  H  H27  1  0.349241  0.500597  0.519815  1
  H  H28  1  0.351694  1.076112  0.564324  1
  H  H29  1  0.851059  0.787372  0.542342  1
  H  H30  1  0.850981  0.425521  0.556514  1
  H  H31  1  0.851539  0.999704  0.601112  1
  H  H32  1  0.351411  0.712631  0.579081  1
  H  H33  1  0.351526  0.355456  0.593658  1
