# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79611773
_cell_length_b   3.04628870
_cell_length_c   46.91664630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.95110312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   710.433277014
_cell_formula_units_Z   21
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  0.486389  0.676649  0.293824  1
  H  H2  1  0.986883  0.615893  0.283185  1
  H  H3  1  0.485501  0.785976  0.312967  1
  H  H4  1  0.985995  0.725220  0.302328  1
  H  H5  1  0.484450  0.915330  0.335616  1
  H  H6  1  0.984943  0.854574  0.324978  1
  H  H7  1  0.483486  0.033945  0.356386  1
  H  H8  1  0.983979  0.973189  0.345747  1
  H  H9  1  0.482486  0.156984  0.377930  1
  H  H10  1  0.982979  0.096228  0.367291  1
  H  H11  1  0.481503  0.277892  0.399100  1
  H  H12  1  0.981997  0.217136  0.388462  1
  H  H13  1  0.480513  0.399768  0.420441  1
  H  H14  1  0.981006  0.339012  0.409802  1
  H  H15  1  0.479526  0.521192  0.441702  1
  H  H16  1  0.980020  0.460436  0.431064  1
  H  H17  1  0.478537  0.642823  0.462999  1
  H  H18  1  0.979031  0.582067  0.452361  1
  H  H19  1  0.477549  0.764361  0.484280  1
  H  H20  1  0.978043  0.703605  0.473642  1
  H  H21  1  0.476561  0.885934  0.505568  1
  H  H22  1  0.977055  0.825178  0.494929  1
  H  H23  1  0.475573  0.007507  0.526855  1
  H  H24  1  0.976067  0.946751  0.516217  1
  H  H25  1  0.474586  0.129045  0.548136  1
  H  H26  1  0.975079  0.068289  0.537498  1
  H  H27  1  0.473597  0.250676  0.569434  1
  H  H28  1  0.974091  0.189920  0.558795  1
  H  H29  1  0.472610  0.372100  0.590695  1
  H  H30  1  0.973104  0.311344  0.580056  1
  H  H31  1  0.471620  0.493976  0.612035  1
  H  H32  1  0.972114  0.433220  0.601397  1
  H  H33  1  0.470637  0.614884  0.633206  1
  H  H34  1  0.971131  0.554128  0.622568  1
  H  H35  1  0.469637  0.737922  0.654750  1
  H  H36  1  0.970131  0.677166  0.644112  1
  H  H37  1  0.468673  0.856538  0.675519  1
  H  H38  1  0.969167  0.795782  0.664881  1
  H  H39  1  0.467622  0.985892  0.698169  1
  H  H40  1  0.968116  0.925136  0.687531  1
  H  H41  1  0.466734  0.095219  0.717312  1
  H  H42  1  0.967227  0.034463  0.706674  1
