# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31948340
_cell_length_b   7.45707137
_cell_length_c   49.20731165
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.67275496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   3768.11192246
_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  0.439097  0.147357  0.275926  1
  H  H2  1  0.789897  0.058553  0.298148  1
  H  H3  1  0.140696  0.969750  0.320370  1
  H  H4  1  0.330897  0.632556  0.279630  1
  H  H5  1  0.681697  0.543753  0.301852  1
  H  H6  1  0.032496  0.454949  0.324074  1
  H  H7  1  0.491496  0.880946  0.342593  1
  H  H8  1  0.842296  0.792143  0.364815  1
  H  H9  1  0.193096  0.703339  0.387037  1
  H  H10  1  0.383296  0.366146  0.346296  1
  H  H11  1  0.734096  0.277342  0.368519  1
  H  H12  1  0.084896  0.188539  0.390741  1
  H  H13  1  0.543895  0.614536  0.409259  1
  H  H14  1  0.894695  0.525733  0.431481  1
  H  H15  1  0.245495  0.436929  0.453704  1
  H  H16  1  0.435695  0.099735  0.412963  1
  H  H17  1  0.786495  0.010932  0.435185  1
  H  H18  1  0.137295  0.922128  0.457407  1
  H  H19  1  0.596295  0.348126  0.475926  1
  H  H20  1  0.947094  0.259322  0.498148  1
  H  H21  1  0.297894  0.170519  0.520370  1
  H  H22  1  0.488095  0.833325  0.479630  1
  H  H23  1  0.838894  0.744522  0.501852  1
  H  H24  1  0.189694  0.655718  0.524074  1
  H  H25  1  0.648694  0.081715  0.542593  1
  H  H26  1  0.999494  0.992912  0.564815  1
  H  H27  1  0.350293  0.904108  0.587037  1
  H  H28  1  0.540494  0.566915  0.546296  1
  H  H29  1  0.891294  0.478111  0.568519  1
  H  H30  1  0.242093  0.389308  0.590741  1
  H  H31  1  0.701093  0.815305  0.609259  1
  H  H32  1  0.051893  0.726501  0.631481  1
  H  H33  1  0.402693  0.637698  0.653704  1
  H  H34  1  0.592893  0.300504  0.612963  1
  H  H35  1  0.943693  0.211701  0.635185  1
  H  H36  1  0.294493  0.122897  0.657407  1
  H  H37  1  0.753492  0.548894  0.675926  1
  H  H38  1  0.104292  0.460091  0.698148  1
  H  H39  1  0.455092  0.371287  0.720370  1
  H  H40  1  0.645292  0.034094  0.679630  1
  H  H41  1  0.996092  0.945290  0.701852  1
  H  H42  1  0.346892  0.856487  0.724074  1
