# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70960410
_cell_length_b   4.47721667
_cell_length_c   56.78861417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.16160563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H56
_cell_volume   1157.50782264
_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  0.856744  0.209801  0.210515  1
  H  H2  1  0.356744  0.209801  0.210515  1
  H  H3  1  0.467207  0.680501  0.204725  1
  H  H4  1  0.967207  0.680501  0.204725  1
  H  H5  1  0.180389  0.887188  0.236890  1
  H  H6  1  0.680389  0.887188  0.236890  1
  H  H7  1  0.566728  0.425165  0.242135  1
  H  H8  1  0.066728  0.425165  0.242135  1
  H  H9  1  0.277725  0.636677  0.273488  1
  H  H10  1  0.777725  0.636677  0.273488  1
  H  H11  1  0.890250  0.098683  0.267744  1
  H  H12  1  0.390250  0.098683  0.267744  1
  H  H13  1  0.600931  0.308478  0.298763  1
  H  H14  1  0.100931  0.308478  0.298763  1
  H  H15  1  0.987728  0.847967  0.304745  1
  H  H16  1  0.487728  0.847967  0.304745  1
  H  H17  1  0.698283  1.059035  0.335948  1
  H  H18  1  0.198283  1.059035  0.335948  1
  H  H19  1  0.311566  0.518901  0.329911  1
  H  H20  1  0.811566  0.518901  0.329911  1
  H  H21  1  0.022234  0.729785  0.361086  1
  H  H22  1  0.522234  0.729785  0.361086  1
  H  H23  1  0.409027  0.270051  0.367139  1
  H  H24  1  0.909027  0.270051  0.367139  1
  H  H25  1  0.119766  0.481051  0.398326  1
  H  H26  1  0.619766  0.481051  0.398326  1
  H  H27  1  0.732953  0.940750  0.392271  1
  H  H28  1  0.232953  0.940750  0.392271  1
  H  H29  1  0.443686  0.151742  0.423457  1
  H  H30  1  0.943686  0.151742  0.423457  1
  H  H31  1  0.830499  0.692044  0.429513  1
  H  H32  1  0.330499  0.692044  0.429513  1
  H  H33  1  0.541218  0.903009  0.460698  1
  H  H34  1  0.041218  0.903009  0.460698  1
  H  H35  1  0.154424  0.362742  0.454645  1
  H  H36  1  0.654424  0.362742  0.454645  1
  H  H37  1  0.865169  0.573758  0.485836  1
  H  H38  1  0.365169  0.573758  0.485836  1
  H  H39  1  0.251886  0.113892  0.491873  1
  H  H40  1  0.751886  0.113892  0.491873  1
  H  H41  1  0.962521  0.324316  0.523021  1
  H  H42  1  0.462521  0.324316  0.523021  1
  H  H43  1  0.575723  0.784827  0.517039  1
  H  H44  1  0.075723  0.784827  0.517039  1
  H  H45  1  0.285727  0.996116  0.548296  1
  H  H46  1  0.785727  0.996116  0.548296  1
  H  H47  1  0.673202  0.534111  0.554040  1
  H  H48  1  0.173202  0.534111  0.554040  1
  H  H49  1  0.383063  0.745606  0.584894  1
  H  H50  1  0.883063  0.745606  0.584894  1
  H  H51  1  0.996724  0.207628  0.579648  1
  H  H52  1  0.496724  0.207628  0.579648  1
  H  H53  1  0.706708  0.422992  0.611268  1
  H  H54  1  0.206708  0.422992  0.611268  1
  H  H55  1  0.096245  0.952293  0.617059  1
  H  H56  1  0.596245  0.952293  0.617059  1
