# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27209409
_cell_length_b   8.50895814
_cell_length_c   54.30017180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.42203437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H52
_cell_volume   1043.20607955
_cell_formula_units_Z   26
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  0.440508  0.899352  0.240890  1
  H  H2  1  0.202721  0.410867  0.240565  1
  H  H3  1  0.141945  0.285612  0.203903  1
  H  H4  1  0.266848  0.561415  0.205734  1
  H  H5  1  0.888742  0.794707  0.276872  1
  H  H6  1  0.651593  0.303942  0.274079  1
  H  H7  1  0.589695  0.167084  0.237565  1
  H  H8  1  0.815552  0.654358  0.241137  1
  H  H9  1  0.336082  0.687304  0.311476  1
  H  H10  1  0.098754  0.197891  0.308059  1
  H  H11  1  1.033114  1.059966  0.271708  1
  H  H12  1  0.267601  0.549679  0.275751  1
  H  H13  1  0.781945  0.579831  0.345779  1
  H  H14  1  0.545239  1.091827  0.342311  1
  H  H15  1  0.478515  0.954627  0.306077  1
  H  H16  1  0.714574  0.441978  0.309761  1
  H  H17  1  0.228026  0.472947  0.380039  1
  H  H18  1  0.991415  0.985328  0.376591  1
  H  H19  1  0.924480  0.848142  0.340427  1
  H  H20  1  0.160880  0.335280  0.343919  1
  H  H21  1  0.674173  0.366299  0.414316  1
  H  H22  1  0.437525  0.878666  0.410857  1
  H  H23  1  0.370455  0.741317  0.374704  1
  H  H24  1  0.607063  0.228808  0.378173  1
  H  H25  1  0.120319  0.259648  0.448593  1
  H  H26  1  0.883652  0.772006  0.445121  1
  H  H27  1  0.816560  0.634587  0.408972  1
  H  H28  1  0.053227  0.122228  0.412444  1
  H  H29  1  0.566424  0.152918  0.482861  1
  H  H30  1  0.329816  0.665427  0.479392  1
  H  H31  1  0.262706  0.527936  0.443249  1
  H  H32  1  0.499354  1.015569  0.446708  1
  H  H33  1  1.012399  1.046093  0.517139  1
  H  H34  1  0.775999  0.558955  0.513646  1
  H  H35  1  0.708853  0.421288  0.477526  1
  H  H36  1  0.945464  0.908907  0.480974  1
  H  H37  1  0.458364  0.939608  0.551488  1
  H  H38  1  0.222305  0.452257  0.547805  1
  H  H39  1  0.154934  0.314404  0.511786  1
  H  H40  1  0.391640  0.802408  0.515255  1
  H  H41  1  0.903765  0.834269  0.585857  1
  H  H42  1  0.669278  0.344556  0.581814  1
  H  H43  1  0.600797  0.206931  0.546089  1
  H  H44  1  0.838125  0.696344  0.549506  1
  H  H45  1  0.347184  0.727151  0.620000  1
  H  H46  1  0.121327  0.239877  0.616428  1
  H  H47  1  0.048137  1.099528  0.580694  1
  H  H48  1  0.285286  0.590293  0.583486  1
  H  H49  1  0.794934  0.608623  0.653662  1
  H  H50  1  0.670031  0.332820  0.651831  1
  H  H51  1  0.496371  0.994883  0.616675  1
  H  H52  1  0.734158  0.483368  0.617000  1
