# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29885290
_cell_length_b   6.28013394
_cell_length_c   48.63019693
_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   H36
_cell_volume   702.079216652
_cell_formula_units_Z   18
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  0.571154  0.813711  0.311671  1
  H  H2  1  0.571154  0.361772  0.276970  1
  H  H3  1  1.071154  0.041115  0.280926  1
  H  H4  1  1.071154  0.684008  0.273336  1
  H  H5  1  0.571154  0.627817  0.352340  1
  H  H6  1  0.571154  0.177069  0.318861  1
  H  H7  1  1.071154  0.946481  0.348696  1
  H  H8  1  1.071154  0.495797  0.314928  1
  H  H9  1  0.571154  0.443249  0.393596  1
  H  H10  1  0.571154  0.079129  0.385799  1
  H  H11  1  1.071154  0.760825  0.389706  1
  H  H12  1  1.071154  0.310695  0.356144  1
  H  H13  1  0.571154  0.343810  0.460358  1
  H  H14  1  0.571154  0.893600  0.427017  1
  H  H15  1  0.071154  0.575962  0.430973  1
  H  H16  1  1.071154  0.211339  0.423063  1
  H  H17  1  0.571154  0.158801  0.501641  1
  H  H18  1  0.571154  0.708612  0.468303  1
  H  H19  1  1.071154  0.476387  0.497667  1
  H  H20  1  1.071154  0.026198  0.464330  1
  H  H21  1  0.571154  -0.026341  0.542908  1
  H  H22  1  0.571154  0.609036  0.534997  1
  H  H23  1  1.071154  0.291398  0.538953  1
  H  H24  1  1.071154  0.841188  0.505612  1
  H  H25  1  0.571154  0.874303  0.609827  1
  H  H26  1  0.571154  0.424173  0.576264  1
  H  H27  1  1.071154  0.105869  0.580171  1
  H  H28  1  1.071154  0.741749  0.572374  1
  H  H29  1  0.571154  0.689202  0.651042  1
  H  H30  1  0.571154  0.238517  0.617274  1
  H  H31  1  1.071154  0.007929  0.647109  1
  H  H32  1  1.071154  0.557181  0.613630  1
  H  H33  1  0.571154  0.500991  0.692634  1
  H  H34  1  0.571154  0.143883  0.685044  1
  H  H35  1  1.071154  0.823226  0.689000  1
  H  H36  1  1.071154  0.371287  0.654299  1
