# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844556
_cell_length_b   15.58723366
_cell_length_c   50.62303749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H120
_cell_volume   3036.7049261
_cell_formula_units_Z   60
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  0.571763  0.099085  0.362127  1
  H  H2  1  0.571763  0.797912  0.331824  1
  H  H3  1  0.571763  0.496738  0.301521  1
  H  H4  1  0.928237  0.346152  0.286370  1
  H  H5  1  0.928237  0.948499  0.346976  1
  H  H6  1  0.928237  0.647325  0.316673  1
  H  H7  1  0.071763  0.978492  0.349994  1
  H  H8  1  0.071763  0.677318  0.319691  1
  H  H9  1  0.071763  0.376145  0.289388  1
  H  H10  1  0.428237  0.225558  0.274236  1
  H  H11  1  0.428237  0.827905  0.334842  1
  H  H12  1  0.428237  0.526732  0.304539  1
  H  H13  1  0.571763  0.297912  0.331824  1
  H  H14  1  0.571763  0.996738  0.301521  1
  H  H15  1  0.571763  0.599085  0.362127  1
  H  H16  1  0.928237  0.147325  0.316673  1
  H  H17  1  0.928237  0.846152  0.286370  1
  H  H18  1  0.928237  0.448499  0.346976  1
  H  H19  1  0.071763  0.177318  0.319691  1
  H  H20  1  0.071763  0.876145  0.289388  1
  H  H21  1  0.071763  0.478492  0.349994  1
  H  H22  1  0.428237  0.026732  0.304539  1
  H  H23  1  0.428237  0.725558  0.274236  1
  H  H24  1  0.428237  0.327905  0.334842  1
  H  H25  1  0.571763  0.002606  0.453037  1
  H  H26  1  0.571763  0.701432  0.422734  1
  H  H27  1  0.571763  0.400259  0.392430  1
  H  H28  1  0.928237  0.249672  0.377279  1
  H  H29  1  0.928237  0.852019  0.437885  1
  H  H30  1  0.928237  0.550846  0.407582  1
  H  H31  1  0.071763  0.882012  0.440903  1
  H  H32  1  0.071763  0.580839  0.410600  1
  H  H33  1  0.071763  0.279665  0.380297  1
  H  H34  1  0.428237  0.129079  0.365145  1
  H  H35  1  0.428237  0.731426  0.425751  1
  H  H36  1  0.428237  0.430252  0.395448  1
  H  H37  1  0.571763  0.201432  0.422734  1
  H  H38  1  0.571763  0.900259  0.392430  1
  H  H39  1  0.571763  0.502606  0.453037  1
  H  H40  1  0.928237  0.050846  0.407582  1
  H  H41  1  0.928237  0.749672  0.377279  1
  H  H42  1  0.928237  0.352019  0.437885  1
  H  H43  1  0.071763  0.080839  0.410600  1
  H  H44  1  0.071763  0.779665  0.380297  1
  H  H45  1  0.071763  0.382012  0.440903  1
  H  H46  1  0.428237  0.930252  0.395448  1
  H  H47  1  0.428237  0.629079  0.365145  1
  H  H48  1  0.428237  0.231426  0.425751  1
  H  H49  1  0.571763  0.906126  0.543946  1
  H  H50  1  0.571763  0.604953  0.513643  1
  H  H51  1  0.571763  0.303779  0.483340  1
  H  H52  1  0.928237  0.153193  0.468188  1
  H  H53  1  0.928237  0.755540  0.528794  1
  H  H54  1  0.928237  0.454366  0.498491  1
  H  H55  1  0.071763  0.785533  0.531812  1
  H  H56  1  0.071763  0.484359  0.501509  1
  H  H57  1  0.071763  0.183186  0.471206  1
  H  H58  1  0.428237  0.032599  0.456054  1
  H  H59  1  0.428237  0.634946  0.516660  1
  H  H60  1  0.428237  0.333773  0.486357  1
  H  H61  1  0.571763  0.104953  0.513643  1
  H  H62  1  0.571763  0.803779  0.483340  1
  H  H63  1  0.571763  0.406126  0.543946  1
  H  H64  1  0.928237  0.954366  0.498491  1
  H  H65  1  0.928237  0.653193  0.468188  1
  H  H66  1  0.928237  0.255540  0.528794  1
  H  H67  1  0.071763  0.984359  0.501509  1
  H  H68  1  0.071763  0.683186  0.471206  1
  H  H69  1  0.071763  0.285533  0.531812  1
  H  H70  1  0.428237  0.833773  0.486357  1
  H  H71  1  0.428237  0.532599  0.456054  1
  H  H72  1  0.428237  0.134946  0.516660  1
  H  H73  1  0.571763  0.809647  0.634855  1
  H  H74  1  0.571763  0.508473  0.604552  1
  H  H75  1  0.571763  0.207300  0.574249  1
  H  H76  1  0.928237  0.056713  0.559097  1
  H  H77  1  0.928237  0.659060  0.619703  1
  H  H78  1  0.928237  0.357887  0.589400  1
  H  H79  1  0.071763  0.689053  0.622721  1
  H  H80  1  0.071763  0.387880  0.592418  1
  H  H81  1  0.071763  0.086706  0.562115  1
  H  H82  1  0.428237  0.936120  0.546963  1
  H  H83  1  0.428237  0.538467  0.607570  1
  H  H84  1  0.428237  0.237293  0.577266  1
  H  H85  1  0.571763  0.008473  0.604552  1
  H  H86  1  0.571763  0.707300  0.574249  1
  H  H87  1  0.571763  0.309647  0.634855  1
  H  H88  1  0.928237  0.857887  0.589400  1
  H  H89  1  0.928237  0.556713  0.559097  1
  H  H90  1  0.928237  0.159060  0.619703  1
  H  H91  1  0.071763  0.887880  0.592418  1
  H  H92  1  0.071763  0.586706  0.562115  1
  H  H93  1  0.071763  0.189053  0.622721  1
  H  H94  1  0.428237  0.737293  0.577266  1
  H  H95  1  0.428237  0.436120  0.546963  1
  H  H96  1  0.428237  0.038467  0.607570  1
  H  H97  1  0.571763  0.713167  0.725764  1
  H  H98  1  0.571763  0.411994  0.695461  1
  H  H99  1  0.571763  0.110820  0.665158  1
  H  H100  1  0.928237  0.960234  0.650006  1
  H  H101  1  0.928237  0.562581  0.710612  1
  H  H102  1  0.928237  0.261407  0.680309  1
  H  H103  1  0.071763  0.592574  0.713630  1
  H  H104  1  0.071763  0.291400  0.683327  1
  H  H105  1  0.071763  0.990227  0.653024  1
  H  H106  1  0.428237  0.839640  0.637873  1
  H  H107  1  0.428237  0.441987  0.698479  1
  H  H108  1  0.428237  0.140814  0.668176  1
  H  H109  1  0.571763  0.911994  0.695461  1
  H  H110  1  0.571763  0.610820  0.665158  1
  H  H111  1  0.571763  0.213167  0.725764  1
  H  H112  1  0.928237  0.761407  0.680309  1
  H  H113  1  0.928237  0.460234  0.650006  1
  H  H114  1  0.928237  0.062581  0.710612  1
  H  H115  1  0.071763  0.791400  0.683327  1
  H  H116  1  0.071763  0.490227  0.653024  1
  H  H117  1  0.071763  0.092574  0.713630  1
  H  H118  1  0.428237  0.640814  0.668176  1
  H  H119  1  0.428237  0.339640  0.637873  1
  H  H120  1  0.428237  0.941987  0.698479  1
