# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27501657
_cell_length_b   24.59345863
_cell_length_c   34.64091260
_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   H96
_cell_volume   1938.17727608
_cell_formula_units_Z   48
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  1.018207  0.347212  0.535572  1
  H  H2  1  1.018207  0.034597  0.497941  1
  H  H3  1  1.018207  0.723454  0.461656  1
  H  H4  1  0.518207  0.263016  0.537126  1
  H  H5  1  0.518207  -0.049893  0.499256  1
  H  H6  1  0.518207  0.638289  0.462735  1
  H  H7  1  1.018207  0.179027  0.539339  1
  H  H8  1  1.018207  0.865837  0.501187  1
  H  H9  1  1.018207  0.553951  0.464731  1
  H  H10  1  0.518207  0.094781  0.541203  1
  H  H11  1  0.518207  0.782251  0.504148  1
  H  H12  1  0.518207  0.469346  0.466669  1
  H  H13  1  0.518207  0.378439  0.479491  1
  H  H14  1  0.518207  0.003509  0.553991  1
  H  H15  1  0.518207  0.690601  0.517672  1
  H  H16  1  1.018207  0.293948  0.480886  1
  H  H17  1  1.018207  0.919374  0.555437  1
  H  H18  1  1.018207  0.606686  0.518805  1
  H  H19  1  0.518207  0.209849  0.483173  1
  H  H20  1  0.518207  0.835665  0.557846  1
  H  H21  1  0.518207  0.522770  0.520882  1
  H  H22  1  1.018207  0.125421  0.485133  1
  H  H23  1  1.018207  0.751232  0.559495  1
  H  H24  1  1.018207  0.438507  0.522737  1
  H  H25  1  1.018207  0.285135  0.646584  1
  H  H26  1  1.018207  -0.027522  0.609344  1
  H  H27  1  1.018207  0.659798  0.572712  1
  H  H28  1  0.518207  0.200985  0.648246  1
  H  H29  1  0.518207  0.888481  0.611083  1
  H  H30  1  0.518207  0.575638  0.574176  1
  H  H31  1  1.018207  0.116962  0.650348  1
  H  H32  1  1.018207  0.804468  0.613273  1
  H  H33  1  1.018207  0.491682  0.576323  1
  H  H34  1  0.518207  0.032715  0.651930  1
  H  H35  1  0.518207  0.720165  0.614932  1
  H  H36  1  0.518207  0.407357  0.577940  1
  H  H37  1  0.518207  0.316101  0.590943  1
  H  H38  1  0.518207  -0.058400  0.665067  1
  H  H39  1  0.518207  0.628823  0.628173  1
  H  H40  1  1.018207  0.231956  0.592581  1
  H  H41  1  1.018207  0.857415  0.666718  1
  H  H42  1  1.018207  0.544605  0.629776  1
  H  H43  1  0.518207  0.148018  0.594795  1
  H  H44  1  0.518207  0.773388  0.668839  1
  H  H45  1  0.518207  0.460566  0.631870  1
  H  H46  1  1.018207  0.063709  0.596401  1
  H  H47  1  1.018207  0.689109  0.670468  1
  H  H48  1  1.018207  0.376313  0.633471  1
  H  H49  1  1.018207  0.223178  0.757773  1
  H  H50  1  1.018207  0.910574  0.720703  1
  H  H51  1  1.018207  0.597777  0.683706  1
  H  H52  1  0.518207  0.138869  0.759379  1
  H  H53  1  0.518207  0.826320  0.722304  1
  H  H54  1  0.518207  0.513498  0.685335  1
  H  H55  1  1.018207  0.054930  0.761593  1
  H  H56  1  1.018207  0.742281  0.724398  1
  H  H57  1  1.018207  0.429472  0.687456  1
  H  H58  1  0.518207  -0.029215  0.763231  1
  H  H59  1  0.518207  0.658063  0.726001  1
  H  H60  1  0.518207  0.345286  0.689107  1
  H  H61  1  0.518207  0.254171  0.702244  1
  H  H62  1  0.518207  0.879530  0.776234  1
  H  H63  1  0.518207  0.566721  0.739242  1
  H  H64  1  1.018207  0.169924  0.703826  1
  H  H65  1  1.018207  0.795204  0.777851  1
  H  H66  1  1.018207  0.482418  0.740901  1
  H  H67  1  0.518207  0.085902  0.705928  1
  H  H68  1  0.518207  0.711248  0.779998  1
  H  H69  1  0.518207  0.398406  0.743091  1
  H  H70  1  1.018207  0.001751  0.707590  1
  H  H71  1  1.018207  0.627088  0.781462  1
  H  H72  1  1.018207  0.314408  0.744830  1
  H  H73  1  1.018207  0.161465  0.869041  1
  H  H74  1  1.018207  0.848379  0.831437  1
  H  H75  1  1.018207  0.535654  0.794679  1
  H  H76  1  0.518207  0.077037  0.871001  1
  H  H77  1  0.518207  0.764116  0.833292  1
  H  H78  1  0.518207  0.451221  0.796328  1
  H  H79  1  1.018207  -0.007062  0.873288  1
  H  H80  1  1.018207  0.680200  0.835369  1
  H  H81  1  1.018207  0.367512  0.798737  1
  H  H82  1  0.518207  0.908447  0.874683  1
  H  H83  1  0.518207  0.596285  0.836502  1
  H  H84  1  0.518207  0.283377  0.800183  1
  H  H85  1  0.518207  0.192105  0.812971  1
  H  H86  1  0.518207  0.817540  0.887505  1
  H  H87  1  0.518207  0.504635  0.850026  1
  H  H88  1  1.018207  0.107859  0.814835  1
  H  H89  1  1.018207  0.732935  0.889443  1
  H  H90  1  1.018207  0.421049  0.852987  1
  H  H91  1  0.518207  0.023870  0.817048  1
  H  H92  1  0.518207  0.648597  0.891439  1
  H  H93  1  0.518207  0.336779  0.854918  1
  H  H94  1  1.018207  -0.060326  0.818602  1
  H  H95  1  1.018207  0.563433  0.892518  1
  H  H96  1  1.018207  0.252289  0.856233  1
