# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30875876
_cell_length_b   7.15099160
_cell_length_c   48.96186750
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.19235415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   797.975005884
_cell_formula_units_Z   21
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  0.471287  0.939700  0.311135  1
  H  H2  1  0.709015  0.421397  0.265630  1
  H  H3  1  0.081409  0.167007  0.286807  1
  H  H4  1  0.875563  0.730651  0.282862  1
  H  H5  1  0.242977  0.481203  0.306345  1
  H  H6  1  0.622146  0.243224  0.328160  1
  H  H7  1  0.614665  0.231432  0.376683  1
  H  H8  1  0.850152  0.701886  0.332301  1
  H  H9  1  0.231229  0.466005  0.354386  1
  H  H10  1  0.004832  0.008236  0.351085  1
  H  H11  1  0.385473  0.770566  0.372800  1
  H  H12  1  0.767160  0.534743  0.395057  1
  H  H13  1  0.760279  0.522408  0.443267  1
  H  H14  1  0.996350  0.994704  0.398923  1
  H  H15  1  0.378256  0.758471  0.421039  1
  H  H16  1  0.149086  0.298536  0.417323  1
  H  H17  1  0.530992  0.062270  0.439543  1
  H  H18  1  0.912887  0.825969  0.461719  1
  H  H19  1  0.906120  0.813733  0.509896  1
  H  H20  1  0.142256  0.286234  0.465489  1
  H  H21  1  0.524169  0.049944  0.487687  1
  H  H22  1  0.294859  0.589809  0.483941  1
  H  H23  1  0.676811  0.353599  0.506150  1
  H  H24  1  0.058724  0.117308  0.528349  1
  H  H25  1  0.051894  0.105006  0.576514  1
  H  H26  1  0.288092  0.577573  0.532118  1
  H  H27  1  0.669988  0.341273  0.554294  1
  H  H28  1  0.440701  0.881135  0.550571  1
  H  H29  1  0.822724  0.645072  0.572798  1
  H  H30  1  0.204630  0.408839  0.594915  1
  H  H31  1  0.196148  0.395306  0.642753  1
  H  H32  1  0.433820  0.868799  0.598780  1
  H  H33  1  0.815507  0.632976  0.621038  1
  H  H34  1  0.586315  0.172111  0.617154  1
  H  H35  1  0.969751  0.937537  0.639451  1
  H  H36  1  0.350828  0.701656  0.661537  1
  H  H37  1  0.325416  0.672891  0.710976  1
  H  H38  1  0.578834  0.160318  0.665677  1
  H  H39  1  0.958003  0.922339  0.687492  1
  H  H40  1  0.729693  0.463842  0.682702  1
  H  H41  1  0.119571  0.236535  0.707030  1
  H  H42  1  0.491965  0.982146  0.728208  1
