# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45678800
_cell_length_b   9.57571690
_cell_length_c   48.85480571
_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   H56
_cell_volume   2084.97361945
_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  0.500000  0.803325  0.276287  1
  H  H2  1  0.500000  0.370082  0.309621  1
  H  H3  1  0.000000  0.114926  0.307046  1
  H  H4  1  0.000000  0.548169  0.273713  1
  H  H5  1  0.000000  0.086704  0.292954  1
  H  H6  1  0.000000  0.653461  0.326287  1
  H  H7  1  0.500000  0.831547  0.290379  1
  H  H8  1  0.500000  0.398304  0.323713  1
  H  H9  1  0.500000  0.936840  0.342954  1
  H  H10  1  0.500000  0.503597  0.376287  1
  H  H11  1  0.000000  0.248440  0.373713  1
  H  H12  1  0.000000  0.681683  0.340379  1
  H  H13  1  0.000000  0.220218  0.359621  1
  H  H14  1  0.000000  0.786975  0.392954  1
  H  H15  1  0.500000  0.965062  0.357046  1
  H  H16  1  0.500000  0.531819  0.390379  1
  H  H17  1  0.500000  0.070354  0.409621  1
  H  H18  1  0.500000  0.637111  0.442954  1
  H  H19  1  0.000000  0.381955  0.440379  1
  H  H20  1  0.000000  0.815197  0.407046  1
  H  H21  1  0.000000  0.353733  0.426287  1
  H  H22  1  0.000000  0.920490  0.459621  1
  H  H23  1  0.500000  0.098576  0.423713  1
  H  H24  1  0.500000  0.665333  0.457046  1
  H  H25  1  0.500000  0.203868  0.476287  1
  H  H26  1  0.500000  0.770626  0.509621  1
  H  H27  1  0.000000  0.515469  0.507046  1
  H  H28  1  0.000000  0.948712  0.473713  1
  H  H29  1  0.000000  0.487247  0.492954  1
  H  H30  1  0.000000  0.054004  0.526287  1
  H  H31  1  0.500000  0.232090  0.490379  1
  H  H32  1  0.500000  0.798848  0.523713  1
  H  H33  1  0.500000  0.337383  0.542954  1
  H  H34  1  0.500000  0.904140  0.576287  1
  H  H35  1  0.000000  0.648983  0.573713  1
  H  H36  1  0.000000  0.082226  0.540379  1
  H  H37  1  0.000000  0.620761  0.559621  1
  H  H38  1  0.000000  0.187519  0.592954  1
  H  H39  1  0.500000  0.365605  0.557046  1
  H  H40  1  0.500000  0.932362  0.590379  1
  H  H41  1  0.500000  0.470897  0.609621  1
  H  H42  1  0.500000  0.037654  0.642954  1
  H  H43  1  0.000000  0.782498  0.640379  1
  H  H44  1  0.000000  0.215741  0.607046  1
  H  H45  1  0.000000  0.754276  0.626287  1
  H  H46  1  0.000000  0.321033  0.659621  1
  H  H47  1  0.500000  0.499119  0.623713  1
  H  H48  1  0.500000  0.065876  0.657046  1
  H  H49  1  0.500000  0.604412  0.676287  1
  H  H50  1  0.500000  0.171169  0.709621  1
  H  H51  1  0.000000  0.916012  0.707046  1
  H  H52  1  0.000000  0.349255  0.673713  1
  H  H53  1  0.000000  0.887790  0.692954  1
  H  H54  1  0.000000  0.454547  0.726287  1
  H  H55  1  0.500000  0.632634  0.690379  1
  H  H56  1  0.500000  0.199391  0.723713  1
