# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68012847
_cell_length_b   4.29190356
_cell_length_c   34.94444021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.84379356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   986.174745061
_cell_formula_units_Z   24
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  0.094463  0.049569  0.449038  1
  H  H2  1  0.755517  0.348498  0.446279  1
  H  H3  1  0.429802  0.185226  0.446926  1
  H  H4  1  0.156279  0.545035  0.474615  1
  H  H5  1  0.811766  0.827134  0.471508  1
  H  H6  1  0.480354  0.684843  0.473465  1
  H  H7  1  0.256111  0.051361  0.506670  1
  H  H8  1  0.912351  0.307221  0.504007  1
  H  H9  1  0.583962  0.185174  0.504979  1
  H  H10  1  0.333153  0.542370  0.532002  1
  H  H11  1  0.991706  0.797678  0.528317  1
  H  H12  1  0.661375  0.674085  0.529933  1
  H  H13  1  0.430198  0.033091  0.562498  1
  H  H14  1  0.086820  0.294577  0.559672  1
  H  H15  1  0.759855  0.161610  0.560700  1
  H  H16  1  0.510732  0.522263  0.587901  1
  H  H17  1  0.166066  0.785527  0.585128  1
  H  H18  1  0.837191  0.654312  0.586515  1
  H  H19  1  0.605060  0.015996  0.618617  1
  H  H20  1  0.261686  0.278932  0.615713  1
  H  H21  1  0.933744  0.146764  0.617059  1
  H  H22  1  0.685034  0.506306  0.644360  1
  H  H23  1  0.342252  0.767994  0.641341  1
  H  H24  1  1.012375  0.638159  0.643032  1
  H  H25  1  0.779574  -0.000684  0.674994  1
  H  H26  1  0.436792  0.261003  0.671976  1
  H  H27  1  0.109451  0.129150  0.673304  1
  H  H28  1  0.860140  0.488377  0.700622  1
  H  H29  1  0.516766  0.751313  0.697719  1
  H  H30  1  0.188082  0.620546  0.699276  1
  H  H31  1  0.955760  -0.018218  0.731208  1
  H  H32  1  0.611094  0.245047  0.728435  1
  H  H33  1  0.284635  0.112997  0.729821  1
  H  H34  1  1.035006  0.472733  0.756664  1
  H  H35  1  0.691628  0.734219  0.753838  1
  H  H36  1  0.361971  0.605699  0.755636  1
  H  H37  1  0.130119  -0.030369  0.788018  1
  H  H38  1  0.788673  0.224940  0.784334  1
  H  H39  1  0.460451  0.093224  0.786403  1
  H  H40  1  0.209475  0.460088  0.812329  1
  H  H41  1  0.865715  0.715948  0.809666  1
  H  H42  1  0.537864  0.582136  0.811357  1
  H  H43  1  0.310060  -0.059824  0.844827  1
  H  H44  1  0.965547  0.222274  0.841721  1
  H  H45  1  0.641472  0.082466  0.842871  1
  H  H46  1  0.366309  0.418811  0.870057  1
  H  H47  1  1.027363  0.717740  0.867298  1
  H  H48  1  0.692024  0.582083  0.869410  1
