# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28092606
_cell_length_b   4.49041539
_cell_length_c   49.14917103
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.86961093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   486.543100655
_cell_formula_units_Z   12
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  0.061169  0.606533  0.285213  1
  H  H2  1  0.322102  0.128865  0.281179  1
  H  H3  1  0.449284  0.383876  0.322683  1
  H  H4  1  0.711738  0.908689  0.318725  1
  H  H5  1  0.837645  0.161362  0.359659  1
  H  H6  1  0.100028  0.686015  0.355551  1
  H  H7  1  0.226047  0.938851  0.396710  1
  H  H8  1  0.488556  0.463807  0.392598  1
  H  H9  1  0.614499  0.716483  0.433778  1
  H  H10  1  0.877011  0.241439  0.429660  1
  H  H11  1  1.002950  0.494112  0.470842  1
  H  H12  1  0.265469  0.019081  0.466723  1
  H  H13  1  0.391404  0.271747  0.507905  1
  H  H14  1  0.653923  0.796716  0.503786  1
  H  H15  1  0.779862  0.049389  0.544968  1
  H  H16  1  0.042374  0.574345  0.540850  1
  H  H17  1  0.168317  0.827021  0.582030  1
  H  H18  1  0.430825  0.351977  0.577918  1
  H  H19  1  0.556844  0.604813  0.619077  1
  H  H20  1  0.819227  0.129466  0.614969  1
  H  H21  1  0.945134  0.382139  0.655903  1
  H  H22  1  0.207588  0.906952  0.651945  1
  H  H23  1  0.334770  0.161963  0.693449  1
  H  H24  1  0.595703  0.684295  0.689415  1
