# 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   49.16879650
_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   1135.64994652
_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  0.279592  1
  H  H2  1  0.754290  0.623658  0.296134  1
  H  H3  1  0.754290  0.269842  0.313567  1
  H  H4  1  0.254290  0.036776  0.307069  1
  H  H5  1  0.254290  0.765062  0.273939  1
  H  H6  1  0.254290  0.382186  0.287944  1
  H  H7  1  0.754290  0.906949  0.328595  1
  H  H8  1  0.754290  0.554018  0.344933  1
  H  H9  1  0.754290  0.196861  0.360734  1
  H  H10  1  0.254290  0.972892  0.353656  1
  H  H11  1  0.254290  0.677392  0.321695  1
  H  H12  1  0.254290  0.327765  0.337927  1
  H  H13  1  0.754290  0.843210  0.376589  1
  H  H14  1  0.754290  0.488924  0.392467  1
  H  H15  1  0.754290  0.135182  0.408329  1
  H  H16  1  0.254290  0.913250  0.400925  1
  H  H17  1  0.254290  0.620086  0.369385  1
  H  H18  1  0.254290  0.266777  0.385116  1
  H  H19  1  0.754290  0.781368  0.424162  1
  H  H20  1  0.754290  0.427640  0.440020  1
  H  H21  1  0.754290  0.073869  0.455858  1
  H  H22  1  0.254290  0.851989  0.448381  1
  H  H23  1  0.254290  0.559482  0.416736  1
  H  H24  1  0.254290  0.205773  0.432552  1
  H  H25  1  0.754290  0.720130  0.471697  1
  H  H26  1  0.754290  0.366373  0.487538  1
  H  H27  1  0.754290  0.012617  0.503370  1
  H  H28  1  0.254290  0.790722  0.495889  1
  H  H29  1  0.254290  0.498235  0.464216  1
  H  H30  1  0.254290  0.144479  0.480048  1
  H  H31  1  0.754290  0.658863  0.519205  1
  H  H32  1  0.754290  0.305079  0.535034  1
  H  H33  1  0.754290  0.951370  0.550850  1
  H  H34  1  0.254290  0.729484  0.543423  1
  H  H35  1  0.254290  0.436983  0.511728  1
  H  H36  1  0.254290  0.083212  0.527566  1
  H  H37  1  0.754290  0.597602  0.566661  1
  H  H38  1  0.754290  0.244075  0.582470  1
  H  H39  1  0.754290  0.890766  0.598201  1
  H  H40  1  0.254290  0.667641  0.590996  1
  H  H41  1  0.254290  0.375669  0.559257  1
  H  H42  1  0.254290  0.021928  0.575119  1
  H  H43  1  0.754290  0.537960  0.613929  1
  H  H44  1  0.754290  0.183087  0.629659  1
  H  H45  1  0.754290  0.833460  0.645891  1
  H  H46  1  0.254290  0.603903  0.638991  1
  H  H47  1  0.254290  0.313991  0.606852  1
  H  H48  1  0.254290  0.956833  0.622653  1
  H  H49  1  0.754290  0.474076  0.660517  1
  H  H50  1  0.754290  0.128666  0.679642  1
  H  H51  1  0.754290  0.745790  0.693647  1
  H  H52  1  0.254290  0.501589  0.687994  1
  H  H53  1  0.254290  0.241010  0.654019  1
  H  H54  1  0.254290  0.887194  0.671452  1
