# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35594595
_cell_length_b   4.83252206
_cell_length_c   44.83063740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.30968964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H60
_cell_volume   1273.91077436
_cell_formula_units_Z   30
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  0.421143  0.625912  0.333732  1
  H  H2  1  0.113368  0.813765  0.329572  1
  H  H3  1  0.798313  0.956893  0.320255  1
  H  H4  1  0.486424  0.126663  0.316138  1
  H  H5  1  0.644045  0.031695  0.364500  1
  H  H6  1  0.341651  0.193958  0.360682  1
  H  H7  1  0.042488  0.334633  0.348498  1
  H  H8  1  0.738856  0.498851  0.344199  1
  H  H9  1  0.879300  0.433571  0.391910  1
  H  H10  1  0.572501  0.591646  0.386764  1
  H  H11  1  0.263767  0.729461  0.377783  1
  H  H12  1  0.954238  0.895711  0.373276  1
  H  H13  1  0.109384  0.839866  0.420185  1
  H  H14  1  0.798019  -0.003685  0.415101  1
  H  H15  1  0.491548  0.137399  0.407235  1
  H  H16  1  0.182106  0.294464  0.401593  1
  H  H17  1  0.339325  0.250715  0.448875  1
  H  H18  1  0.029649  0.403215  0.442892  1
  H  H19  1  0.725986  0.545297  0.434310  1
  H  H20  1  0.415933  0.696832  0.428571  1
  H  H21  1  0.574065  0.659566  0.476170  1
  H  H22  1  0.264406  0.810485  0.469958  1
  H  H23  1  0.957588  0.954290  0.462276  1
  H  H24  1  0.646441  0.107196  0.456666  1
  H  H25  1  0.806542  0.069333  0.503982  1
  H  H26  1  0.495730  0.221067  0.498023  1
  H  H27  1  0.188613  0.365704  0.490468  1
  H  H28  1  0.879300  0.516283  0.484263  1
  H  H29  1  0.037855  0.480370  0.532012  1
  H  H30  1  0.728625  0.630579  0.525721  1
  H  H31  1  0.422909  0.774542  0.517753  1
  H  H32  1  0.113679  0.924750  0.511461  1
  H  H33  1  0.272234  0.888838  0.559210  1
  H  H34  1  0.962921  0.039416  0.553005  1
  H  H35  1  0.655804  0.184054  0.545450  1
  H  H36  1  0.344992  0.335787  0.539491  1
  H  H37  1  0.505093  0.297925  0.586808  1
  H  H38  1  0.193946  0.450830  0.581197  1
  H  H39  1  0.887128  0.594636  0.573515  1
  H  H40  1  0.577470  0.745554  0.567303  1
  H  H41  1  0.735602  0.708288  0.614902  1
  H  H42  1  0.425548  0.859823  0.609163  1
  H  H43  1  0.121885  0.001905  0.600581  1
  H  H44  1  0.812209  0.154405  0.594598  1
  H  H45  1  -0.030571  0.110656  0.641880  1
  H  H46  1  0.659986  0.267721  0.636238  1
  H  H47  1  0.353515  0.408805  0.628373  1
  H  H48  1  0.042150  0.565254  0.623288  1
  H  H49  1  0.197296  0.509409  0.670197  1
  H  H50  1  0.887768  0.675659  0.665690  1
  H  H51  1  0.579033  0.813475  0.656709  1
  H  H52  1  0.272234  0.971550  0.651563  1
  H  H53  1  0.412678  0.906269  0.699274  1
  H  H54  1  0.109046  0.070487  0.694975  1
  H  H55  1  0.809883  0.211162  0.682791  1
  H  H56  1  0.507489  0.373425  0.678973  1
  H  H57  1  0.665111  0.278458  0.727335  1
  H  H58  1  0.353221  0.448227  0.723218  1
  H  H59  1  0.038166  0.591355  0.713901  1
  H  H60  1  0.730391  0.779208  0.709741  1
