# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30285003
_cell_length_b   8.29669551
_cell_length_c   45.97590889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.32419755
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H56
_cell_volume   2224.01322939
_cell_formula_units_Z   28
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  0.952577  0.405154  0.293571  1
  H  H2  1  0.160424  0.820848  0.324821  1
  H  H3  1  0.392587  0.285174  0.284551  1
  H  H4  1  0.600434  0.700868  0.315801  1
  H  H5  1  0.556501  0.613001  0.309196  1
  H  H6  1  0.764348  0.028695  0.340446  1
  H  H7  1  0.996510  0.493021  0.300176  1
  H  H8  1  0.204358  0.908715  0.331426  1
  H  H9  1  0.368271  0.236542  0.356071  1
  H  H10  1  0.576118  0.652237  0.387321  1
  H  H11  1  0.808281  0.116562  0.347051  1
  H  H12  1  0.016128  0.532257  0.378301  1
  H  H13  1  0.972195  0.444390  0.371696  1
  H  H14  1  0.180042  0.860084  0.402946  1
  H  H15  1  0.412205  0.324410  0.362676  1
  H  H16  1  0.620052  0.740104  0.393926  1
  H  H17  1  0.783965  0.067931  0.418571  1
  H  H18  1  0.991813  0.483625  0.449821  1
  H  H19  1  0.223975  0.947951  0.409551  1
  H  H20  1  0.431823  0.363645  0.440801  1
  H  H21  1  0.387889  0.275778  0.434196  1
  H  H22  1  0.595736  0.691472  0.465446  1
  H  H23  1  0.827899  0.155798  0.425176  1
  H  H24  1  0.035746  0.571492  0.456426  1
  H  H25  1  0.199660  0.899319  0.481071  1
  H  H26  1  0.407507  0.315014  0.512321  1
  H  H27  1  0.639670  0.779339  0.472051  1
  H  H28  1  0.847517  0.195034  0.503301  1
  H  H29  1  0.803583  0.107166  0.496696  1
  H  H30  1  0.011430  0.522861  0.527946  1
  H  H31  1  0.243593  0.987186  0.487676  1
  H  H32  1  0.451440  0.402881  0.518926  1
  H  H33  1  0.615354  0.730708  0.543571  1
  H  H34  1  0.823201  0.146402  0.574821  1
  H  H35  1  0.055364  0.610728  0.534551  1
  H  H36  1  0.263211  0.026422  0.565801  1
  H  H37  1  0.219277  0.938555  0.559196  1
  H  H38  1  0.427125  0.354249  0.590446  1
  H  H39  1  0.659287  0.818575  0.550176  1
  H  H40  1  0.867135  0.234269  0.581426  1
  H  H41  1  0.031048  0.562096  0.606071  1
  H  H42  1  0.238895  0.977791  0.637321  1
  H  H43  1  0.471058  0.442116  0.597051  1
  H  H44  1  0.678905  0.857811  0.628301  1
  H  H45  1  0.634972  0.769943  0.621696  1
  H  H46  1  0.842819  0.185638  0.652946  1
  H  H47  1  0.074982  0.649963  0.612676  1
  H  H48  1  0.282829  0.065658  0.643926  1
  H  H49  1  0.446742  0.393485  0.668571  1
  H  H50  1  0.654590  0.809179  0.699821  1
  H  H51  1  0.886752  0.273505  0.659551  1
  H  H52  1  0.094600  0.689199  0.690801  1
  H  H53  1  0.050666  0.601332  0.684196  1
  H  H54  1  0.258513  0.017026  0.715446  1
  H  H55  1  0.490676  0.481352  0.675176  1
  H  H56  1  0.698523  0.897046  0.706426  1
