# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28411058
_cell_length_b   16.65509685
_cell_length_c   53.05292806
_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   2018.24389184
_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  1.015249  0.893181  0.279779  1
  H  H2  1  1.015249  0.272009  0.281565  1
  H  H3  1  1.015249  0.753274  0.352419  1
  H  H4  1  0.515249  0.840154  0.243997  1
  H  H5  1  0.515249  0.216889  0.247531  1
  H  H6  1  0.515249  0.701590  0.317092  1
  H  H7  1  1.015249  0.997250  0.350975  1
  H  H8  1  1.015249  0.136223  0.279703  1
  H  H9  1  1.015249  0.514917  0.279299  1
  H  H10  1  0.515249  0.945436  0.315203  1
  H  H11  1  0.515249  1.085161  0.242500  1
  H  H12  1  0.515249  0.462905  0.243124  1
  H  H13  1  0.515249  0.772009  0.281565  1
  H  H14  1  0.515249  0.253274  0.352419  1
  H  H15  1  0.515249  0.393181  0.279779  1
  H  H16  1  1.015249  0.716889  0.247531  1
  H  H17  1  1.015249  0.201590  0.317092  1
  H  H18  1  1.015249  0.340154  0.243997  1
  H  H19  1  0.515249  0.636223  0.279703  1
  H  H20  1  0.515249  1.014917  0.279299  1
  H  H21  1  0.515249  0.497250  0.350975  1
  H  H22  1  1.015249  0.585161  0.242500  1
  H  H23  1  1.015249  0.962905  0.243124  1
  H  H24  1  1.015249  0.445436  0.315203  1
  H  H25  1  1.015249  1.131041  0.353195  1
  H  H26  1  1.015249  0.612591  0.424507  1
  H  H27  1  1.015249  0.990703  0.425351  1
  H  H28  1  0.515249  1.079015  0.317486  1
  H  H29  1  0.515249  0.560980  0.388954  1
  H  H30  1  0.515249  0.939064  0.389705  1
  H  H31  1  1.015249  0.234826  0.424084  1
  H  H32  1  1.015249  0.375460  0.351834  1
  H  H33  1  1.015249  0.856887  0.423332  1
  H  H34  1  0.515249  0.183283  0.388579  1
  H  H35  1  0.515249  0.324108  0.316408  1
  H  H36  1  0.515249  0.805310  0.387724  1
  H  H37  1  0.515249  1.112591  0.424507  1
  H  H38  1  0.515249  0.490703  0.425351  1
  H  H39  1  0.515249  0.631041  0.353195  1
  H  H40  1  0.015249  1.060980  0.388954  1
  H  H41  1  1.015249  0.439064  0.389705  1
  H  H42  1  1.015249  0.579015  0.317486  1
  H  H43  1  0.515249  0.875460  0.351834  1
  H  H44  1  0.515249  0.356887  0.423332  1
  H  H45  1  0.515249  0.734826  0.424084  1
  H  H46  1  1.015249  0.824108  0.316408  1
  H  H47  1  1.015249  0.305310  0.387724  1
  H  H48  1  1.015249  0.683283  0.388579  1
  H  H49  1  1.015249  0.472195  0.496682  1
  H  H50  1  1.015249  0.850168  0.497536  1
  H  H51  1  1.015249  0.331370  0.568852  1
  H  H52  1  0.515249  0.420652  0.461177  1
  H  H53  1  0.515249  0.798591  0.461928  1
  H  H54  1  0.515249  0.280018  0.533426  1
  H  H55  1  1.015249  0.576463  0.567774  1
  H  H56  1  1.015249  0.716414  0.495556  1
  H  H57  1  1.015249  1.094498  0.496306  1
  H  H58  1  0.515249  0.524437  0.532066  1
  H  H59  1  0.515249  0.664775  0.459910  1
  H  H60  1  0.515249  1.042887  0.460754  1
  H  H61  1  0.515249  0.350168  0.497536  1
  H  H62  1  0.515249  0.831370  0.568852  1
  H  H63  1  0.515249  0.972195  0.496682  1
  H  H64  1  1.015249  0.298591  0.461928  1
  H  H65  1  1.015249  0.780018  0.533426  1
  H  H66  1  1.015249  0.920652  0.461177  1
  H  H67  1  0.515249  0.216414  0.495556  1
  H  H68  1  0.515249  0.594498  0.496306  1
  H  H69  1  0.515249  1.076463  0.567774  1
  H  H70  1  1.015249  0.164775  0.459910  1
  H  H71  1  1.015249  0.542887  0.460754  1
  H  H72  1  1.015249  1.024437  0.532066  1
  H  H73  1  1.015249  0.710042  0.570057  1
  H  H74  1  1.015249  0.192573  0.642136  1
  H  H75  1  1.015249  0.570317  0.642761  1
  H  H76  1  0.515249  0.658228  0.534286  1
  H  H77  1  0.515249  0.140561  0.605961  1
  H  H78  1  0.515249  0.519255  0.605558  1
  H  H79  1  1.015249  0.815324  0.641263  1
  H  H80  1  1.015249  0.953888  0.568168  1
  H  H81  1  1.015249  0.438589  0.637729  1
  H  H82  1  0.515249  0.762297  0.605481  1
  H  H83  1  0.515249  0.902204  0.532842  1
  H  H84  1  0.515249  0.383469  0.603695  1
  H  H85  1  0.515249  0.692573  0.642136  1
  H  H86  1  0.515249  1.070317  0.642761  1
  H  H87  1  0.515249  0.210042  0.570057  1
  H  H88  1  1.015249  0.640561  0.605961  1
  H  H89  1  1.015249  1.019255  0.605558  1
  H  H90  1  1.015249  0.158228  0.534286  1
  H  H91  1  0.515249  0.453888  0.568168  1
  H  H92  1  0.515249  0.938589  0.637729  1
  H  H93  1  0.515249  0.315324  0.641263  1
  H  H94  1  1.015249  0.402204  0.532842  1
  H  H95  1  1.015249  0.883469  0.603695  1
  H  H96  1  1.015249  0.262297  0.605481  1
