# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.34839243
_cell_length_b   8.39324880
_cell_length_c   59.84234906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.71500901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H56
_cell_volume   1156.7260063
_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  0.683440  0.715061  0.193776  1
  H  H2  1  1.053495  0.974366  0.191627  1
  H  H3  1  0.995996  0.243693  0.179336  1
  H  H4  1  0.363354  0.458056  0.197589  1
  H  H5  1  0.229287  0.642429  0.226469  1
  H  H6  1  0.607729  0.898541  0.223861  1
  H  H7  1  0.494998  0.178911  0.212077  1
  H  H8  1  0.889927  0.386238  0.229874  1
  H  H9  1  0.774730  0.566035  0.258495  1
  H  H10  1  1.146827  0.821999  0.255658  1
  H  H11  1  1.023231  0.101676  0.243271  1
  H  H12  1  0.424265  0.307806  0.261511  1
  H  H13  1  0.313728  0.489249  0.290348  1
  H  H14  1  0.679235  0.746453  0.287554  1
  H  H15  1  0.554403  0.026036  0.274741  1
  H  H16  1  0.957623  0.231712  0.293372  1
  H  H17  1  0.849500  0.413556  0.322208  1
  H  H18  1  0.212788  0.670538  0.319359  1
  H  H19  1  1.085910  0.951036  0.306446  1
  H  H20  1  0.490613  0.156212  0.325181  1
  H  H21  1  0.384024  0.338050  0.354032  1
  H  H22  1  0.746175  0.595074  0.351171  1
  H  H23  1  0.618702  0.875480  0.338174  1
  H  H24  1  1.023763  0.080693  0.356935  1
  H  H25  1  0.917970  0.262595  0.385822  1
  H  H26  1  0.279564  0.519672  0.382973  1
  H  H27  1  1.151663  0.800159  0.369944  1
  H  H28  1  0.556826  0.005376  0.388696  1
  H  H29  1  0.451743  0.187253  0.417601  1
  H  H30  1  0.812926  0.444302  0.414761  1
  H  H31  1  0.684850  0.724826  0.401722  1
  H  H32  1  1.089982  0.930062  0.420462  1
  H  H33  1  0.985623  0.111934  0.449371  1
  H  H34  1  0.346025  0.369012  0.446541  1
  H  H35  1  0.218128  0.649503  0.433509  1
  H  H36  1  0.623183  0.854778  0.452240  1
  H  H37  1  0.519898  0.036711  0.481147  1
  H  H38  1  0.878634  0.293731  0.478290  1
  H  H39  1  0.751425  0.574156  0.465303  1
  H  H40  1  1.156582  0.779346  0.484016  1
  H  H41  1  1.055291  0.961194  0.512901  1
  H  H42  1  0.409840  0.219048  0.510032  1
  H  H43  1  0.284691  0.498601  0.497094  1
  H  H44  1  0.689614  0.703657  0.515795  1
  H  H45  1  0.594772  0.885342  0.544659  1
  H  H46  1  0.939707  0.143775  0.541611  1
  H  H47  1  0.816901  0.423976  0.529010  1
  H  H48  1  0.221337  0.629580  0.547667  1
  H  H49  1  1.134897  0.811863  0.576671  1
  H  H50  1  0.464602  0.066654  0.573074  1
  H  H51  1  0.350739  0.347557  0.560810  1
  H  H52  1  0.757070  0.554394  0.579159  1
  H  H53  1  0.661732  0.740289  0.609039  1
  H  H54  1  0.959562  -0.000130  0.605931  1
  H  H55  1  0.886994  0.271067  0.592940  1
  H  H56  1  0.292700  0.482771  0.611271  1
