# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378036
_cell_length_b   3.04136206
_cell_length_c   46.02791532
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.76491144
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H21
_cell_volume   355.204372108
_cell_formula_units_Z   10
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  0.972954  0.105602  0.288509  1
  H  H2  1  0.904751  0.245429  0.307652  1
  H  H3  1  0.824053  0.410873  0.330302  1
  H  H4  1  0.750054  0.562583  0.351071  1
  H  H5  1  0.673295  0.719950  0.372615  1
  H  H6  1  0.597866  0.874592  0.393786  1
  H  H7  1  0.521832  0.030471  0.415126  1
  H  H8  1  0.446082  0.185772  0.436387  1
  H  H9  1  0.370201  0.341338  0.457685  1
  H  H10  1  0.294379  0.496786  0.478966  1
  H  H11  1  0.218535  0.652278  0.500253  1
  H  H12  1  0.142690  0.807771  0.521540  1
  H  H13  1  0.066868  0.963218  0.542822  1
  H  H14  1  0.990988  0.118784  0.564119  1
  H  H15  1  0.915237  0.274085  0.585380  1
  H  H16  1  0.839204  0.429965  0.606720  1
  H  H17  1  0.763775  0.584607  0.627891  1
  H  H18  1  0.687016  0.741973  0.649435  1
  H  H19  1  0.613017  0.893683  0.670204  1
  H  H20  1  0.532318  0.059127  0.692854  1
  H  H21  1  0.464116  0.198954  0.711997  1
