# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28130537
_cell_length_b   16.79345557
_cell_length_c   33.92078457
_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   H64
_cell_volume   1299.5391893
_cell_formula_units_Z   32
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  1.016779  0.929784  0.505679  1
  H  H2  1  1.016779  0.386722  0.448634  1
  H  H3  1  0.516779  0.807682  0.503538  1
  H  H4  1  0.516779  0.253584  0.556982  1
  H  H5  1  1.016779  0.685456  0.498529  1
  H  H6  1  0.016779  0.246326  0.444604  1
  H  H7  1  0.516779  0.562421  0.493484  1
  H  H8  1  0.516779  0.011232  0.550912  1
  H  H9  1  0.516779  0.886722  0.448634  1
  H  H10  1  0.516779  0.429784  0.505679  1
  H  H11  1  1.016779  0.753584  0.556982  1
  H  H12  1  1.016779  0.307682  0.503538  1
  H  H13  1  0.516779  0.746326  0.444604  1
  H  H14  1  0.516779  0.185456  0.498529  1
  H  H15  1  1.016779  0.511232  0.550912  1
  H  H16  1  1.016779  0.062421  0.493484  1
  H  H17  1  1.016779  0.822741  0.614902  1
  H  H18  1  1.016779  0.376614  0.560670  1
  H  H19  1  0.516779  0.700534  0.611387  1
  H  H20  1  0.516779  0.147701  0.666497  1
  H  H21  1  1.016779  0.579427  0.608839  1
  H  H22  1  1.016779  0.132145  0.553441  1
  H  H23  1  0.516779  0.457742  0.606100  1
  H  H24  1  0.516779  0.904368  0.661001  1
  H  H25  1  0.516779  0.876614  0.560670  1
  H  H26  1  0.516779  0.322741  0.614902  1
  H  H27  1  1.016779  0.647701  0.666497  1
  H  H28  1  1.016779  0.200534  0.611387  1
  H  H29  1  0.516779  0.632145  0.553441  1
  H  H30  1  0.516779  0.079427  0.608839  1
  H  H31  1  1.016779  0.404368  0.661001  1
  H  H32  1  1.016779  -0.042258  0.606100  1
  H  H33  1  1.016779  0.716226  0.724466  1
  H  H34  1  1.016779  0.269599  0.669565  1
  H  H35  1  0.516779  0.594540  0.721727  1
  H  H36  1  0.516779  0.041823  0.777125  1
  H  H37  1  1.016779  0.473433  0.719179  1
  H  H38  1  0.016779  0.026266  0.664068  1
  H  H39  1  0.516779  0.351227  0.715664  1
  H  H40  1  0.516779  0.797353  0.769895  1
  H  H41  1  0.516779  0.769599  0.669565  1
  H  H42  1  0.516779  0.216226  0.724466  1
  H  H43  1  1.016779  0.541823  0.777125  1
  H  H44  1  1.016779  0.094540  0.721727  1
  H  H45  1  0.516779  0.526266  0.664068  1
  H  H46  1  0.516779  -0.026567  0.719179  1
  H  H47  1  1.016779  0.297353  0.769895  1
  H  H48  1  1.016779  0.851227  0.715664  1
  H  H49  1  1.016779  0.611546  0.837082  1
  H  H50  1  1.016779  0.162736  0.779654  1
  H  H51  1  0.516779  0.488512  0.832037  1
  H  H52  1  0.516779  0.927642  0.885962  1
  H  H53  1  1.016779  0.366286  0.827027  1
  H  H54  1  1.016779  0.920384  0.773583  1
  H  H55  1  0.516779  0.244183  0.824886  1
  H  H56  1  0.516779  0.787245  0.881932  1
  H  H57  1  0.516779  0.662736  0.779654  1
  H  H58  1  0.516779  0.111546  0.837082  1
  H  H59  1  1.016779  0.427642  0.885962  1
  H  H60  1  1.016779  -0.011488  0.832037  1
  H  H61  1  0.516779  0.420384  0.773583  1
  H  H62  1  0.516779  0.866286  0.827027  1
  H  H63  1  1.016779  0.287245  0.881932  1
  H  H64  1  1.016779  0.744183  0.824886  1
