# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62232586
_cell_length_b   4.63638547
_cell_length_c   49.46962524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   1038.75788005
_cell_formula_units_Z   24
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  0.744720  0.838615  0.277962  1
  H  H2  1  0.095069  0.364573  0.273076  1
  H  H3  1  0.244720  0.838615  0.277962  1
  H  H4  1  0.595069  0.364573  0.273076  1
  H  H5  1  0.551324  0.610115  0.314095  1
  H  H6  1  0.907504  0.142365  0.309381  1
  H  H7  1  0.051324  0.610115  0.314095  1
  H  H8  1  0.407504  0.142365  0.309381  1
  H  H9  1  0.356129  0.384187  0.349617  1
  H  H10  1  0.715380  0.916426  0.344451  1
  H  H11  1  0.856129  0.384187  0.349617  1
  H  H12  1  0.215380  0.916426  0.344451  1
  H  H13  1  0.162223  0.158193  0.385011  1
  H  H14  1  0.521426  0.692275  0.379594  1
  H  H15  1  0.662223  0.158193  0.385011  1
  H  H16  1  1.021426  0.692275  0.379594  1
  H  H17  1  0.968776  0.932515  0.420328  1
  H  H18  1  0.327655  0.467496  0.414829  1
  H  H19  1  0.468776  0.932515  0.420328  1
  H  H20  1  0.827655  0.467496  0.414829  1
  H  H21  1  0.775310  0.707121  0.455618  1
  H  H22  1  0.134080  0.242335  0.450090  1
  H  H23  1  0.275310  0.707121  0.455618  1
  H  H24  1  0.634080  0.242335  0.450090  1
  H  H25  1  0.581804  0.481876  0.490894  1
  H  H26  1  0.940574  1.017090  0.485366  1
  H  H27  1  0.081804  0.481876  0.490894  1
  H  H28  1  0.440574  1.017090  0.485366  1
  H  H29  1  0.388229  0.256715  0.526155  1
  H  H30  1  0.747108  0.791696  0.520656  1
  H  H31  1  0.888229  0.256715  0.526155  1
  H  H32  1  0.247108  0.791696  0.520656  1
  H  H33  1  0.194458  0.031936  0.561391  1
  H  H34  1  0.553661  0.566018  0.555974  1
  H  H35  1  0.694458  0.031936  0.561391  1
  H  H36  1  0.053661  0.566018  0.555974  1
  H  H37  1  1.000504  0.807785  0.596533  1
  H  H38  1  0.359755  0.340024  0.591367  1
  H  H39  1  0.500504  0.807785  0.596533  1
  H  H40  1  0.859755  0.340024  0.591367  1
  H  H41  1  0.808380  0.581846  0.631603  1
  H  H42  1  0.164560  0.114096  0.626889  1
  H  H43  1  0.308380  0.581846  0.631603  1
  H  H44  1  0.664560  0.114096  0.626889  1
  H  H45  1  0.620815  0.359638  0.667908  1
  H  H46  1  0.971164  0.885596  0.663022  1
  H  H47  1  0.120815  0.359638  0.667908  1
  H  H48  1  0.471164  0.885596  0.663022  1
