# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27302521
_cell_length_b   7.27769840
_cell_length_c   49.68544995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H40
_cell_volume   821.916186116
_cell_formula_units_Z   20
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  0.610657  0.576278  0.276718  1
  H  H2  1  0.610657  0.027198  0.299316  1
  H  H3  1  1.110657  0.295547  0.286852  1
  H  H4  1  1.110657  0.858966  0.266395  1
  H  H5  1  0.610657  0.477044  0.320256  1
  H  H6  1  0.610657  0.930184  0.342404  1
  H  H7  1  1.110657  0.205494  0.331452  1
  H  H8  1  1.110657  0.751666  0.309948  1
  H  H9  1  0.610657  0.382238  0.363876  1
  H  H10  1  0.610657  0.833493  0.385731  1
  H  H11  1  1.110657  0.108165  0.374807  1
  H  H12  1  1.110657  0.655341  0.353027  1
  H  H13  1  0.610657  0.285654  0.407392  1
  H  H14  1  0.610657  0.737396  0.429182  1
  H  H15  1  1.110657  0.011561  0.418289  1
  H  H16  1  1.110657  0.559528  0.396553  1
  H  H17  1  0.610657  0.189315  0.450883  1
  H  H18  1  0.610657  0.641165  0.472644  1
  H  H19  1  1.110657  0.915254  0.461770  1
  H  H20  1  1.110657  0.463339  0.440023  1
  H  H21  1  0.610657  0.093007  0.494366  1
  H  H22  1  0.610657  0.544923  0.516114  1
  H  H23  1  1.110657  0.818946  0.505254  1
  H  H24  1  1.110657  0.367097  0.483493  1
  H  H25  1  0.610657  -0.003300  0.537848  1
  H  H26  1  0.610657  0.448734  0.559584  1
  H  H27  1  1.110657  0.722608  0.548745  1
  H  H28  1  1.110657  0.270865  0.526954  1
  H  H29  1  0.610657  0.900097  0.581330  1
  H  H30  1  0.610657  0.352920  0.603110  1
  H  H31  1  1.110657  0.626024  0.592261  1
  H  H32  1  1.110657  0.174768  0.570406  1
  H  H33  1  0.610657  0.802768  0.624684  1
  H  H34  1  0.610657  0.256595  0.646189  1
  H  H35  1  1.110657  0.531218  0.635881  1
  H  H36  1  1.110657  0.078077  0.613733  1
  H  H37  1  0.610657  0.712714  0.669284  1
  H  H38  1  0.610657  0.149296  0.689742  1
  H  H39  1  1.110657  0.431983  0.679418  1
  H  H40  1  1.110657  0.981064  0.656821  1
