# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91662921
_cell_length_b   6.18525746
_cell_length_c   46.29752065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.76926845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H64
_cell_volume   1656.76396048
_cell_formula_units_Z   32
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  0.064171  0.981597  0.304300  1
  H  H2  1  0.525251  0.561016  0.312273  1
  H  H3  1  0.491598  0.526071  0.298768  1
  H  H4  1  0.952677  0.105490  0.306741  1
  H  H5  1  0.564171  0.981597  0.304300  1
  H  H6  1  0.025251  0.561016  0.312273  1
  H  H7  1  0.991598  0.526071  0.298768  1
  H  H8  1  0.452677  0.105490  0.306741  1
  H  H9  1  0.792980  0.534976  0.359856  1
  H  H10  1  0.254059  0.114395  0.367829  1
  H  H11  1  0.220406  0.079450  0.354324  1
  H  H12  1  0.681486  0.658869  0.362297  1
  H  H13  1  0.292980  0.534976  0.359856  1
  H  H14  1  0.754059  0.114395  0.367829  1
  H  H15  1  0.720406  0.079450  0.354324  1
  H  H16  1  0.181486  0.658869  0.362297  1
  H  H17  1  0.521788  0.088355  0.415411  1
  H  H18  1  0.982868  0.667774  0.423385  1
  H  H19  1  0.949214  0.632829  0.409879  1
  H  H20  1  0.410294  0.212248  0.417852  1
  H  H21  1  0.021788  0.088355  0.415411  1
  H  H22  1  0.482868  0.667774  0.423385  1
  H  H23  1  0.449214  0.632829  0.409879  1
  H  H24  1  0.910294  0.212248  0.417852  1
  H  H25  1  0.250596  0.641734  0.470967  1
  H  H26  1  0.711676  0.221153  0.478940  1
  H  H27  1  0.678022  0.186207  0.465435  1
  H  H28  1  0.139102  0.765627  0.473408  1
  H  H29  1  0.750596  0.641734  0.470967  1
  H  H30  1  0.211676  0.221153  0.478940  1
  H  H31  1  0.178022  0.186207  0.465435  1
  H  H32  1  0.639102  0.765627  0.473408  1
  H  H33  1  0.979404  0.195113  0.526522  1
  H  H34  1  0.440484  0.774532  0.534496  1
  H  H35  1  0.406831  0.739586  0.520990  1
  H  H36  1  0.867910  0.319005  0.528964  1
  H  H37  1  0.479404  0.195113  0.526522  1
  H  H38  1  0.940484  0.774532  0.534496  1
  H  H39  1  0.906831  0.739586  0.520990  1
  H  H40  1  0.367910  0.319005  0.528964  1
  H  H41  1  0.708213  0.748491  0.582078  1
  H  H42  1  0.169292  0.327910  0.590051  1
  H  H43  1  0.135639  0.292965  0.576546  1
  H  H44  1  0.596719  0.872384  0.584519  1
  H  H45  1  0.208213  0.748491  0.582078  1
  H  H46  1  0.669292  0.327910  0.590051  1
  H  H47  1  0.635639  0.292965  0.576546  1
  H  H48  1  0.096719  0.872384  0.584519  1
  H  H49  1  0.437021  0.301870  0.637634  1
  H  H50  1  0.898100  0.881289  0.645607  1
  H  H51  1  0.864447  0.846344  0.632101  1
  H  H52  1  0.325527  0.425763  0.640075  1
  H  H53  1  0.937021  0.301870  0.637634  1
  H  H54  1  0.398100  0.881289  0.645607  1
  H  H55  1  0.364447  0.846344  0.632101  1
  H  H56  1  0.825527  0.425763  0.640075  1
  H  H57  1  0.165829  0.855249  0.693189  1
  H  H58  1  0.626909  0.434668  0.701162  1
  H  H59  1  0.593255  0.399723  0.687657  1
  H  H60  1  0.054335  0.979142  0.695630  1
  H  H61  1  0.665829  0.855249  0.693189  1
  H  H62  1  0.126909  0.434668  0.701162  1
  H  H63  1  0.093255  0.399723  0.687657  1
  H  H64  1  0.554335  0.979142  0.695630  1
