# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61216038
_cell_length_b   3.04608711
_cell_length_c   46.45126160
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.73876847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1110.95147606
_cell_formula_units_Z   33
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  0.226578  0.629053  0.286939  1
  H  H2  1  0.906530  0.572794  0.293742  1
  H  H3  1  0.546626  0.685311  0.280137  1
  H  H4  1  0.262436  0.477208  0.305300  1
  H  H5  1  0.942389  0.420949  0.312103  1
  H  H6  1  0.582484  0.533466  0.298497  1
  H  H7  1  0.304863  0.297547  0.327025  1
  H  H8  1  0.984816  0.241288  0.333827  1
  H  H9  1  0.624911  0.353806  0.320222  1
  H  H10  1  0.343768  0.132801  0.346945  1
  H  H11  1  0.023721  0.076542  0.353748  1
  H  H12  1  0.663816  0.189060  0.340143  1
  H  H13  1  0.384124  0.961912  0.367609  1
  H  H14  1  0.064076  0.905653  0.374412  1
  H  H15  1  0.704172  0.018170  0.360806  1
  H  H16  1  0.423781  0.793982  0.387915  1
  H  H17  1  0.103733  0.737723  0.394718  1
  H  H18  1  0.743829  0.850240  0.381112  1
  H  H19  1  0.463755  0.624707  0.408383  1
  H  H20  1  0.143708  0.568448  0.415186  1
  H  H21  1  0.783803  0.680965  0.401581  1
  H  H22  1  0.503581  0.456062  0.428776  1
  H  H23  1  0.183533  0.399803  0.435578  1
  H  H24  1  0.823629  0.512321  0.421973  1
  H  H25  1  0.543476  0.287125  0.449203  1
  H  H26  1  0.223428  0.230867  0.456006  1
  H  H27  1  0.863524  0.343384  0.442401  1
  H  H28  1  0.583338  0.118327  0.469614  1
  H  H29  1  0.263290  0.062068  0.476417  1
  H  H30  1  0.903386  0.174585  0.462812  1
  H  H31  1  0.623216  0.949459  0.490034  1
  H  H32  1  0.303168  0.893200  0.496836  1
  H  H33  1  0.943264  0.005717  0.483231  1
  H  H34  1  0.663084  0.780634  0.510448  1
  H  H35  1  0.343036  0.724375  0.517250  1
  H  H36  1  0.983132  0.836892  0.503645  1
  H  H37  1  0.702963  0.611766  0.530867  1
  H  H38  1  0.382915  0.555507  0.537670  1
  H  H39  1  0.023010  0.668025  0.524064  1
  H  H40  1  0.742825  0.442967  0.551278  1
  H  H41  1  0.422777  0.386709  0.558081  1
  H  H42  1  0.062872  0.499226  0.544475  1
  H  H43  1  0.782719  0.274030  0.571705  1
  H  H44  1  0.462671  0.217772  0.578508  1
  H  H45  1  0.102767  0.330289  0.564903  1
  H  H46  1  0.822545  0.105386  0.592098  1
  H  H47  1  0.502497  0.049127  0.598900  1
  H  H48  1  0.142593  0.161645  0.585295  1
  H  H49  1  0.862519  0.936111  0.612566  1
  H  H50  1  0.542471  0.879852  0.619369  1
  H  H51  1  0.182567  0.992370  0.605764  1
  H  H52  1  0.902176  0.768181  0.632872  1
  H  H53  1  0.582128  0.711922  0.639675  1
  H  H54  1  0.222224  0.824440  0.626069  1
  H  H55  1  0.942532  0.597292  0.653536  1
  H  H56  1  0.622484  0.541033  0.660339  1
  H  H57  1  0.262580  0.653550  0.646733  1
  H  H58  1  0.981437  0.432546  0.673457  1
  H  H59  1  0.661389  0.376287  0.680259  1
  H  H60  1  0.301485  0.488804  0.666654  1
  H  H61  1  0.023864  0.252885  0.695181  1
  H  H62  1  0.703816  0.196626  0.701984  1
  H  H63  1  0.343912  0.309144  0.688378  1
  H  H64  1  0.059722  0.101040  0.713542  1
  H  H65  1  0.739674  0.044781  0.720345  1
  H  H66  1  0.379770  0.157299  0.706739  1
