# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89988105
_cell_length_b   10.11885151
_cell_length_c   47.65417745
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.89555424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H56
_cell_volume   1845.33619932
_cell_formula_units_Z   28
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  0.566757  0.865825  0.316087  1
  H  H2  1  0.787863  0.423611  0.282753  1
  H  H3  1  0.196571  0.606197  0.321642  1
  H  H4  1  0.417679  0.163980  0.288309  1
  H  H5  1  0.231591  0.536154  0.316363  1
  H  H6  1  0.452699  0.093938  0.283029  1
  H  H7  1  0.601776  0.795782  0.310807  1
  H  H8  1  0.822883  0.353568  0.277474  1
  H  H9  1  0.124541  0.750256  0.382754  1
  H  H10  1  0.345649  0.308040  0.349420  1
  H  H11  1  0.754355  0.490628  0.388309  1
  H  H12  1  0.975463  0.048412  0.354976  1
  H  H13  1  0.789375  0.420585  0.383029  1
  H  H14  1  0.010483  0.978370  0.349696  1
  H  H15  1  0.159561  0.680213  0.377474  1
  H  H16  1  0.380668  0.237998  0.344141  1
  H  H17  1  0.682325  0.634687  0.449420  1
  H  H18  1  0.903433  0.192471  0.416087  1
  H  H19  1  0.312140  0.375059  0.454976  1
  H  H20  1  0.533248  0.932843  0.421642  1
  H  H21  1  0.347160  0.305016  0.449696  1
  H  H22  1  0.568267  0.862801  0.416363  1
  H  H23  1  0.717345  0.564644  0.444141  1
  H  H24  1  0.938453  0.122429  0.410807  1
  H  H25  1  0.240110  0.519118  0.516087  1
  H  H26  1  0.461218  0.076902  0.482754  1
  H  H27  1  0.869924  0.259490  0.521642  1
  H  H28  1  0.091032  0.817274  0.488309  1
  H  H29  1  0.904944  0.189447  0.516363  1
  H  H30  1  0.126052  0.747232  0.483029  1
  H  H31  1  0.275130  0.449075  0.510807  1
  H  H32  1  0.496237  0.006860  0.477474  1
  H  H33  1  0.797894  0.403549  0.582754  1
  H  H34  1  0.019002  0.961333  0.549420  1
  H  H35  1  0.427709  0.143921  0.588309  1
  H  H36  1  0.648817  0.701705  0.554976  1
  H  H37  1  0.462729  0.073878  0.583029  1
  H  H38  1  0.683836  0.631663  0.549696  1
  H  H39  1  0.832914  0.333506  0.577474  1
  H  H40  1  0.054022  0.891291  0.544141  1
  H  H41  1  0.355679  0.287980  0.649420  1
  H  H42  1  0.576787  0.845764  0.616087  1
  H  H43  1  0.985493  0.028352  0.654976  1
  H  H44  1  0.206601  0.586136  0.621642  1
  H  H45  1  0.020513  0.958309  0.649696  1
  H  H46  1  0.241621  0.516094  0.616363  1
  H  H47  1  0.390699  0.217937  0.644141  1
  H  H48  1  0.611806  0.775722  0.610807  1
  H  H49  1  0.913463  0.172411  0.716087  1
  H  H50  1  0.134571  0.730195  0.682754  1
  H  H51  1  0.543278  0.912782  0.721643  1
  H  H52  1  0.764386  0.470567  0.688309  1
  H  H53  1  0.578298  0.842739  0.716363  1
  H  H54  1  0.799405  0.400525  0.683029  1
  H  H55  1  0.948483  0.102369  0.710807  1
  H  H56  1  0.169591  0.660153  0.677474  1
