# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13119765
_cell_length_b   15.57004841
_cell_length_c   49.63522088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.48432853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   3911.30082416
_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  0.032778  0.065555  0.275926  1
  H  H2  1  0.407185  0.814370  0.320370  1
  H  H3  1  0.719981  0.439962  0.298148  1
  H  H4  1  0.521719  0.043437  0.324074  1
  H  H5  1  0.834515  0.669030  0.301852  1
  H  H6  1  0.147312  0.294623  0.279630  1
  H  H7  1  0.094388  0.188777  0.342593  1
  H  H8  1  0.468795  0.937591  0.387037  1
  H  H9  1  0.781592  0.563184  0.364815  1
  H  H10  1  0.583329  0.166659  0.390741  1
  H  H11  1  0.896126  0.792252  0.368519  1
  H  H12  1  0.208922  0.417844  0.346296  1
  H  H13  1  0.155999  0.311998  0.409259  1
  H  H14  1  0.530406  0.060812  0.453704  1
  H  H15  1  0.843203  0.686405  0.431481  1
  H  H16  1  0.644940  0.289880  0.457407  1
  H  H17  1  0.957737  0.915473  0.435185  1
  H  H18  1  0.270533  0.541066  0.412963  1
  H  H19  1  0.217610  0.435219  0.475926  1
  H  H20  1  0.592017  0.184034  0.520370  1
  H  H21  1  0.904813  0.809627  0.498148  1
  H  H22  1  0.706551  0.413102  0.524074  1
  H  H23  1  0.019347  0.038694  0.501852  1
  H  H24  1  0.332144  0.664287  0.479630  1
  H  H25  1  0.279220  0.558441  0.542593  1
  H  H26  1  0.653628  0.307255  0.587037  1
  H  H27  1  0.966424  0.932848  0.564815  1
  H  H28  1  0.768161  0.536323  0.590741  1
  H  H29  1  0.080958  0.161916  0.568519  1
  H  H30  1  0.393754  0.787509  0.546296  1
  H  H31  1  0.340831  0.681662  0.609259  1
  H  H32  1  0.715238  0.430476  0.653704  1
  H  H33  1  0.028035  0.056069  0.631481  1
  H  H34  1  0.829772  0.659544  0.657407  1
  H  H35  1  0.142569  0.285137  0.635185  1
  H  H36  1  0.455365  0.910730  0.612963  1
  H  H37  1  0.402442  0.804884  0.675926  1
  H  H38  1  0.776849  0.553698  0.720370  1
  H  H39  1  0.089645  0.179291  0.698148  1
  H  H40  1  0.891383  0.782766  0.724074  1
  H  H41  1  0.204179  0.408359  0.701852  1
  H  H42  1  0.516976  0.033951  0.679630  1
