# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42060635
_cell_length_b   5.70396630
_cell_length_c   54.80979677
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.25262802
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1770.57574343
_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  0.224395  1.012522  0.217798  1
  H  H2  1  0.891062  1.012522  0.217798  1
  H  H3  1  0.557729  1.012522  0.217798  1
  H  H4  1  0.620858  0.473727  0.210391  1
  H  H5  1  0.287525  0.473727  0.210391  1
  H  H6  1  0.954191  0.473727  0.210391  1
  H  H7  1  0.165866  0.229297  0.249951  1
  H  H8  1  0.832533  0.229297  0.249951  1
  H  H9  1  0.499199  0.229297  0.249951  1
  H  H10  1  0.556825  0.678432  0.243033  1
  H  H11  1  0.223492  0.678432  0.243033  1
  H  H12  1  0.890158  0.678432  0.243033  1
  H  H13  1  0.106485  0.444256  0.281826  1
  H  H14  1  0.773152  0.444256  0.281826  1
  H  H15  1  0.439819  0.444256  0.281826  1
  H  H16  1  0.497624  0.893522  0.274211  1
  H  H17  1  0.164291  0.893522  0.274211  1
  H  H18  1  0.830958  0.893522  0.274211  1
  H  H19  1  1.047454  0.659744  0.313523  1
  H  H20  1  0.714121  0.659744  0.313523  1
  H  H21  1  0.380788  0.659744  0.313523  1
  H  H22  1  0.437555  0.106884  0.305766  1
  H  H23  1  0.104222  0.106884  0.305766  1
  H  H24  1  0.770888  0.106884  0.305766  1
  H  H25  1  0.988100  0.874558  0.345209  1
  H  H26  1  0.654767  0.874558  0.345209  1
  H  H27  1  0.321433  0.874558  0.345209  1
  H  H28  1  0.377971  0.321207  0.337350  1
  H  H29  1  1.044637  0.321207  0.337350  1
  H  H30  1  0.711304  0.321207  0.337350  1
  H  H31  1  0.928652  0.089180  0.376859  1
  H  H32  1  0.595319  0.089180  0.376859  1
  H  H33  1  0.261985  0.089180  0.376859  1
  H  H34  1  0.318342  0.535463  0.368958  1
  H  H35  1  0.985009  0.535463  0.368958  1
  H  H36  1  0.651676  0.535463  0.368958  1
  H  H37  1  0.869140  0.303673  0.408493  1
  H  H38  1  0.535807  0.303673  0.408493  1
  H  H39  1  0.202474  0.303673  0.408493  1
  H  H40  1  0.258767  0.749827  0.400573  1
  H  H41  1  0.925434  0.749827  0.400573  1
  H  H42  1  0.592100  0.749827  0.400573  1
  H  H43  1  0.809592  0.518091  0.440117  1
  H  H44  1  0.476259  0.518091  0.440117  1
  H  H45  1  0.142926  0.518091  0.440117  1
  H  H46  1  0.199219  0.964245  0.432196  1
  H  H47  1  0.865886  0.964245  0.432196  1
  H  H48  1  0.532552  0.964245  0.432196  1
  H  H49  1  0.750017  0.732454  0.471731  1
  H  H50  1  0.416683  0.732454  0.471731  1
  H  H51  1  0.083350  0.732454  0.471731  1
  H  H52  1  0.139707  0.178737  0.463830  1
  H  H53  1  0.806374  0.178737  0.463830  1
  H  H54  1  0.473041  0.178737  0.463830  1
  H  H55  1  0.690389  0.946711  0.503339  1
  H  H56  1  0.357055  0.946711  0.503339  1
  H  H57  1  1.023722  0.946711  0.503339  1
  H  H58  1  0.080259  0.393360  0.495480  1
  H  H59  1  0.746926  0.393360  0.495480  1
  H  H60  1  0.413592  0.393360  0.495480  1
  H  H61  1  0.630804  0.161034  0.534924  1
  H  H62  1  0.297471  0.161034  0.534924  1
  H  H63  1  0.964138  0.161034  0.534924  1
  H  H64  1  1.020905  0.608174  0.527166  1
  H  H65  1  0.687571  0.608174  0.527166  1
  H  H66  1  0.354238  0.608174  0.527166  1
  H  H67  1  0.570735  0.374395  0.566479  1
  H  H68  1  0.237402  0.374395  0.566479  1
  H  H69  1  0.904068  0.374395  0.566479  1
  H  H70  1  0.961874  0.823662  0.558863  1
  H  H71  1  0.628541  0.823662  0.558863  1
  H  H72  1  0.295207  0.823662  0.558863  1
  H  H73  1  0.511534  0.589486  0.597656  1
  H  H74  1  0.178201  0.589486  0.597656  1
  H  H75  1  0.844867  0.589486  0.597656  1
  H  H76  1  0.902493  0.038620  0.590739  1
  H  H77  1  0.569160  0.038620  0.590739  1
  H  H78  1  0.235827  0.038620  0.590739  1
  H  H79  1  0.447501  0.794191  0.630298  1
  H  H80  1  0.114168  0.794191  0.630298  1
  H  H81  1  0.780835  0.794191  0.630298  1
  H  H82  1  0.843964  0.255396  0.622891  1
  H  H83  1  0.510631  0.255396  0.622891  1
  H  H84  1  0.177297  0.255396  0.622891  1
