# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31298235
_cell_length_b   6.08152187
_cell_length_c   47.35724986
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.95616450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   2948.31851461
_cell_formula_units_Z   42
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  0.416928  0.338151  0.284956  1
  H  H2  1  0.764501  0.204178  0.305789  1
  H  H3  1  0.112074  0.070204  0.326622  1
  H  H4  1  0.308190  0.815822  0.288428  1
  H  H5  1  0.655763  0.681849  0.309261  1
  H  H6  1  0.003337  0.547875  0.330095  1
  H  H7  1  0.314958  0.910569  0.298329  1
  H  H8  1  0.662531  0.776595  0.319162  1
  H  H9  1  0.010104  0.642622  0.339996  1
  H  H10  1  0.423695  0.432898  0.294857  1
  H  H11  1  0.771269  0.298924  0.315690  1
  H  H12  1  0.118842  0.164951  0.336523  1
  H  H13  1  0.459648  0.936230  0.347456  1
  H  H14  1  0.807221  0.802257  0.368289  1
  H  H15  1  0.154794  0.668283  0.389122  1
  H  H16  1  0.350910  0.413901  0.350928  1
  H  H17  1  0.698483  0.279928  0.371761  1
  H  H18  1  0.046057  0.145954  0.392595  1
  H  H19  1  0.357678  0.508648  0.360829  1
  H  H20  1  0.705251  0.374674  0.381662  1
  H  H21  1  0.052824  0.240701  0.402496  1
  H  H22  1  0.466415  0.030977  0.357357  1
  H  H23  1  0.813989  0.897003  0.378190  1
  H  H24  1  0.161562  0.763030  0.399023  1
  H  H25  1  0.502368  0.534310  0.409956  1
  H  H26  1  0.849941  0.400336  0.430789  1
  H  H27  1  0.197514  0.266362  0.451622  1
  H  H28  1  0.393630  0.011981  0.413428  1
  H  H29  1  0.741203  0.878007  0.434261  1
  H  H30  1  0.088777  0.744033  0.455095  1
  H  H31  1  0.400398  0.106727  0.423329  1
  H  H32  1  0.747971  0.972754  0.444162  1
  H  H33  1  0.095544  0.838780  0.464996  1
  H  H34  1  0.509135  0.629056  0.419857  1
  H  H35  1  0.856709  0.495083  0.440690  1
  H  H36  1  0.204282  0.361109  0.461523  1
  H  H37  1  0.545088  0.132389  0.472456  1
  H  H38  1  0.892661  0.998415  0.493289  1
  H  H39  1  0.240234  0.864441  0.514122  1
  H  H40  1  0.436350  0.610060  0.475928  1
  H  H41  1  0.783923  0.476086  0.496761  1
  H  H42  1  0.131496  0.342112  0.517595  1
  H  H43  1  0.443117  0.704806  0.485829  1
  H  H44  1  0.790691  0.570833  0.506662  1
  H  H45  1  0.138264  0.436859  0.527496  1
  H  H46  1  0.551855  0.227135  0.482357  1
  H  H47  1  0.899429  0.093162  0.503190  1
  H  H48  1  0.247002  0.959188  0.524023  1
  H  H49  1  0.587808  0.730468  0.534956  1
  H  H50  1  0.935381  0.596494  0.555789  1
  H  H51  1  0.282954  0.462521  0.576622  1
  H  H52  1  0.479070  0.208139  0.538428  1
  H  H53  1  0.826643  0.074165  0.559261  1
  H  H54  1  0.174216  0.940192  0.580095  1
  H  H55  1  0.485837  0.302885  0.548329  1
  H  H56  1  0.833411  0.168912  0.569162  1
  H  H57  1  0.180984  0.034938  0.589996  1
  H  H58  1  0.594575  0.825214  0.544857  1
  H  H59  1  0.942148  0.691241  0.565690  1
  H  H60  1  0.289722  0.557267  0.586523  1
  H  H61  1  0.630527  0.328547  0.597456  1
  H  H62  1  0.978101  0.194573  0.618289  1
  H  H63  1  0.325674  0.060600  0.639122  1
  H  H64  1  0.521790  0.806218  0.600928  1
  H  H65  1  0.869363  0.672244  0.621761  1
  H  H66  1  0.216936  0.538271  0.642595  1
  H  H67  1  0.528557  0.900965  0.610829  1
  H  H68  1  0.876131  0.766991  0.631662  1
  H  H69  1  0.223704  0.633017  0.652496  1
  H  H70  1  0.637295  0.423294  0.607357  1
  H  H71  1  0.984868  0.289320  0.628190  1
  H  H72  1  0.332442  0.155346  0.649023  1
  H  H73  1  0.673247  0.926626  0.659956  1
  H  H74  1  0.020821  0.792652  0.680789  1
  H  H75  1  0.368394  0.658679  0.701622  1
  H  H76  1  0.564510  0.404297  0.663428  1
  H  H77  1  0.912083  0.270324  0.684261  1
  H  H78  1  0.259656  0.136350  0.705095  1
  H  H79  1  0.571277  0.499044  0.673329  1
  H  H80  1  0.918851  0.365070  0.694162  1
  H  H81  1  0.266424  0.231096  0.714996  1
  H  H82  1  0.680015  0.021373  0.669857  1
  H  H83  1  0.027588  0.887399  0.690690  1
  H  H84  1  0.375162  0.753425  0.711523  1
