# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88667041
_cell_length_b   2.28080954
_cell_length_c   64.51943613
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.43701071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   855.306702044
_cell_formula_units_Z   21
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  0.911197  1.108072  0.138776  1
  H  H2  1  0.607517  0.253855  0.157917  1
  H  H3  1  0.265019  0.189211  0.148036  1
  H  H4  1  0.958621  0.570178  0.171137  1
  H  H5  1  0.644127  0.780015  0.190284  1
  H  H6  1  0.300271  0.678737  0.180606  1
  H  H7  1  0.991330  1.030176  0.202939  1
  H  H8  1  0.678210  0.277331  0.222794  1
  H  H9  1  0.334920  1.156925  0.212774  1
  H  H10  1  1.024850  0.495572  0.234910  1
  H  H11  1  0.712368  0.765059  0.255284  1
  H  H12  1  0.368652  0.631705  0.245039  1
  H  H13  1  0.058359  0.963631  0.266994  1
  H  H14  1  0.746423  0.247743  0.287707  1
  H  H15  1  0.402435  1.106527  0.277312  1
  H  H16  1  0.092070  0.434716  0.299151  1
  H  H17  1  0.780486  0.727483  0.320069  1
  H  H18  1  0.436299  0.581538  0.309589  1
  H  H19  1  0.125944  0.908261  0.331367  1
  H  H20  1  0.814531  0.205038  0.352381  1
  H  H21  1  0.470244  1.056786  0.341867  1
  H  H22  1  0.159931  0.383878  0.363633  1
  H  H23  1  0.848519  0.680654  0.384647  1
  H  H24  1  0.504219  0.532129  0.374146  1
  H  H25  1  0.193977  0.861432  0.395945  1
  H  H26  1  0.882393  1.154200  0.416863  1
  H  H27  1  0.538164  1.007377  0.406425  1
  H  H28  1  0.228040  0.341173  0.428307  1
  H  H29  1  0.916104  0.625285  0.449020  1
  H  H30  1  0.572028  0.482389  0.438702  1
  H  H31  1  0.262095  0.823857  0.460730  1
  H  H32  1  0.949613  1.093343  0.481104  1
  H  H33  1  0.605810  0.957210  0.470975  1
  H  H34  1  0.296253  0.311584  0.493220  1
  H  H35  1  0.983133  0.558739  0.513075  1
  H  H36  1  0.639543  0.431991  0.503240  1
  H  H37  1  0.330336  0.808900  0.525730  1
  H  H38  1  1.015842  1.018738  0.544877  1
  H  H39  1  0.674192  0.910178  0.535408  1
  H  H40  1  0.366945  0.335060  0.558097  1
  H  H41  1  0.063266  0.480844  0.577238  1
  H  H42  1  0.709444  0.399704  0.567978  1
