# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92068397
_cell_length_b   5.79628488
_cell_length_c   47.29414404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1590.24701324
_cell_formula_units_Z   40
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  0.784508  0.827991  0.278899  1
  H  H2  1  0.284508  0.327991  0.278899  1
  H  H3  1  0.171846  0.715311  0.301698  1
  H  H4  1  0.671846  0.215311  0.301698  1
  H  H5  1  0.534508  0.577991  0.278899  1
  H  H6  1  0.034508  0.077991  0.278899  1
  H  H7  1  0.921846  0.465311  0.301698  1
  H  H8  1  0.421846  0.965311  0.301698  1
  H  H9  1  0.580623  0.622438  0.325971  1
  H  H10  1  0.080623  0.122438  0.325971  1
  H  H11  1  0.987999  0.526444  0.348288  1
  H  H12  1  0.487999  0.026444  0.348288  1
  H  H13  1  0.330623  0.372438  0.325971  1
  H  H14  1  0.830623  0.872438  0.325971  1
  H  H15  1  0.737999  0.276444  0.348288  1
  H  H16  1  0.237999  0.776444  0.348288  1
  H  H17  1  0.402796  0.436877  0.371830  1
  H  H18  1  0.902796  0.936877  0.371830  1
  H  H19  1  0.811992  0.341958  0.394541  1
  H  H20  1  0.311992  0.841958  0.394541  1
  H  H21  1  0.152796  0.186877  0.371830  1
  H  H22  1  0.652796  0.686877  0.371830  1
  H  H23  1  0.561992  0.091958  0.394541  1
  H  H24  1  0.061992  0.591958  0.394541  1
  H  H25  1  0.224380  0.250231  0.417927  1
  H  H26  1  0.724380  0.750231  0.417927  1
  H  H27  1  0.633965  0.155860  0.440822  1
  H  H28  1  0.133965  0.655860  0.440822  1
  H  H29  1  0.974380  1.000231  0.417927  1
  H  H30  1  0.474380  0.500231  0.417927  1
  H  H31  1  0.383965  0.905860  0.440822  1
  H  H32  1  0.883965  0.405860  0.440822  1
  H  H33  1  0.045621  0.063496  0.464106  1
  H  H34  1  0.545621  0.563496  0.464106  1
  H  H35  1  0.455530  0.969455  0.487068  1
  H  H36  1  0.955530  0.469455  0.487068  1
  H  H37  1  0.795621  0.813496  0.464106  1
  H  H38  1  0.295621  0.313496  0.464106  1
  H  H39  1  0.205530  0.719455  0.487068  1
  H  H40  1  0.705530  0.219455  0.487068  1
  H  H41  1  0.867011  0.876926  0.510321  1
  H  H42  1  0.367011  0.376926  0.510321  1
  H  H43  1  0.276921  0.782885  0.533283  1
  H  H44  1  0.776921  0.282885  0.533283  1
  H  H45  1  0.617011  0.626926  0.510321  1
  H  H46  1  0.117011  0.126926  0.510321  1
  H  H47  1  0.026921  0.532885  0.533283  1
  H  H48  1  0.526921  0.032885  0.533283  1
  H  H49  1  0.688576  0.690521  0.556567  1
  H  H50  1  0.188576  0.190521  0.556567  1
  H  H51  1  0.098161  0.596150  0.579462  1
  H  H52  1  0.598161  0.096150  0.579462  1
  H  H53  1  0.438576  0.440521  0.556567  1
  H  H54  1  0.938576  0.940521  0.556567  1
  H  H55  1  0.848161  0.346150  0.579462  1
  H  H56  1  0.348161  0.846150  0.579462  1
  H  H57  1  0.510550  0.504423  0.602848  1
  H  H58  1  0.010550  1.004423  0.602848  1
  H  H59  1  0.919745  0.409505  0.625559  1
  H  H60  1  0.419745  0.909505  0.625559  1
  H  H61  1  0.260550  0.254423  0.602848  1
  H  H62  1  0.760550  0.754423  0.602848  1
  H  H63  1  0.669745  0.159505  0.625559  1
  H  H64  1  0.169745  0.659505  0.625559  1
  H  H65  1  0.334542  0.319937  0.649101  1
  H  H66  1  0.834542  0.819937  0.649101  1
  H  H67  1  0.741919  0.223943  0.671417  1
  H  H68  1  0.241919  0.723943  0.671417  1
  H  H69  1  0.084542  0.069937  0.649101  1
  H  H70  1  0.584542  0.569937  0.649101  1
  H  H71  1  0.491919  0.973943  0.671417  1
  H  H72  1  0.991919  0.473943  0.671417  1
  H  H73  1  0.150695  0.131070  0.695690  1
  H  H74  1  0.650695  0.631070  0.695690  1
  H  H75  1  0.538033  0.018390  0.718489  1
  H  H76  1  0.038033  0.518390  0.718489  1
  H  H77  1  0.900695  0.881070  0.695690  1
  H  H78  1  0.400695  0.381070  0.695690  1
  H  H79  1  0.288033  0.768390  0.718489  1
  H  H80  1  0.788033  0.268390  0.718489  1
