# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82504480
_cell_length_b   6.03835137
_cell_length_c   49.16896720
_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   H54
_cell_volume   1135.65388928
_cell_formula_units_Z   27
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  0.754290  0.009263  0.279591  1
  H  H2  1  0.754290  0.623658  0.296133  1
  H  H3  1  0.754290  0.269842  0.313566  1
  H  H4  1  0.254290  0.036776  0.307068  1
  H  H5  1  0.254290  0.765062  0.273938  1
  H  H6  1  0.254290  0.382186  0.287943  1
  H  H7  1  0.754290  0.906949  0.328594  1
  H  H8  1  0.754290  0.554018  0.344931  1
  H  H9  1  0.754290  0.196861  0.360733  1
  H  H10  1  0.254290  0.972892  0.353655  1
  H  H11  1  0.254290  0.677392  0.321694  1
  H  H12  1  0.254290  0.327765  0.337926  1
  H  H13  1  0.754290  0.843210  0.376588  1
  H  H14  1  0.754290  0.488924  0.392466  1
  H  H15  1  0.754290  0.135182  0.408327  1
  H  H16  1  0.254290  0.913250  0.400923  1
  H  H17  1  0.254290  0.620086  0.369384  1
  H  H18  1  0.254290  0.266777  0.385114  1
  H  H19  1  0.754290  0.781368  0.424161  1
  H  H20  1  0.754290  0.427640  0.440018  1
  H  H21  1  0.754290  0.073869  0.455856  1
  H  H22  1  0.254290  0.851989  0.448379  1
  H  H23  1  0.254290  0.559482  0.416735  1
  H  H24  1  0.254290  0.205773  0.432550  1
  H  H25  1  0.754290  0.720130  0.471696  1
  H  H26  1  0.754290  0.366373  0.487536  1
  H  H27  1  0.754290  0.012617  0.503368  1
  H  H28  1  0.254290  0.790722  0.495887  1
  H  H29  1  0.254290  0.498235  0.464214  1
  H  H30  1  0.254290  0.144479  0.480046  1
  H  H31  1  0.754290  0.658863  0.519203  1
  H  H32  1  0.754290  0.305079  0.535032  1
  H  H33  1  0.754290  0.951370  0.550848  1
  H  H34  1  0.254290  0.729484  0.543421  1
  H  H35  1  0.254290  0.436983  0.511726  1
  H  H36  1  0.254290  0.083212  0.527564  1
  H  H37  1  0.754290  0.597602  0.566659  1
  H  H38  1  0.754290  0.244075  0.582468  1
  H  H39  1  0.754290  0.890766  0.598199  1
  H  H40  1  0.254290  0.667641  0.590994  1
  H  H41  1  0.254290  0.375669  0.559255  1
  H  H42  1  0.254290  0.021928  0.575117  1
  H  H43  1  0.754290  0.537960  0.613927  1
  H  H44  1  0.754290  0.183087  0.629657  1
  H  H45  1  0.754290  0.833460  0.645889  1
  H  H46  1  0.254290  0.603903  0.638989  1
  H  H47  1  0.254290  0.313991  0.606850  1
  H  H48  1  0.254290  0.956833  0.622651  1
  H  H49  1  0.754290  0.474076  0.660515  1
  H  H50  1  0.754290  0.128666  0.679639  1
  H  H51  1  0.754290  0.745790  0.693644  1
  H  H52  1  0.254290  0.501589  0.687992  1
  H  H53  1  0.254290  0.241010  0.654016  1
  H  H54  1  0.254290  0.887194  0.671450  1
