# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08495060
_cell_length_b   2.28336485
_cell_length_c   48.29260618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.58282938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   659.925678727
_cell_formula_units_Z   16
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  0.303668  0.303289  0.280670  1
  H  H2  1  0.663831  0.124999  0.295023  1
  H  H3  1  0.932168  0.490763  0.267893  1
  H  H4  1  0.394417  0.760170  0.322528  1
  H  H5  1  0.760443  0.577357  0.335995  1
  H  H6  1  0.031465  0.940842  0.309118  1
  H  H7  1  0.491075  0.212811  0.363376  1
  H  H8  1  0.855946  0.030711  0.377047  1
  H  H9  1  0.125515  0.395164  0.349847  1
  H  H10  1  0.586457  0.666141  0.404423  1
  H  H11  1  0.951619  0.483893  0.418092  1
  H  H12  1  0.221368  0.848295  0.390772  1
  H  H13  1  0.681981  0.119400  0.445458  1
  H  H14  1  0.047127  0.937170  0.459134  1
  H  H15  1  0.316806  0.301630  0.431792  1
  H  H16  1  0.777479  0.572680  0.486494  1
  H  H17  1  0.142641  0.390447  0.500168  1
  H  H18  1  0.412317  0.754912  0.472820  1
  H  H19  1  0.872978  0.025960  0.527530  1
  H  H20  1  0.238153  0.843730  0.541196  1
  H  H21  1  0.507831  0.208189  0.513855  1
  H  H22  1  0.968502  0.479219  0.568566  1
  H  H23  1  0.333591  0.297064  0.582217  1
  H  H24  1  0.603340  0.661466  0.554897  1
  H  H25  1  0.063884  0.932549  0.609612  1
  H  H26  1  0.429444  0.750195  0.623141  1
  H  H27  1  0.699013  0.114648  0.595941  1
  H  H28  1  0.160542  0.385190  0.650461  1
  H  H29  1  0.523494  0.204518  0.663871  1
  H  H30  1  0.794516  0.568002  0.636993  1
  H  H31  1  0.251291  0.842071  0.692318  1
  H  H32  1  0.622791  0.654597  0.705095  1
  H  H33  1  0.891127  0.020360  0.677965  1
