# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19936508
_cell_length_b   7.28909484
_cell_length_c   50.68003823
_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   H60
_cell_volume   1181.88258919
_cell_formula_units_Z   30
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  0.521192  0.246542  0.251655  1
  H  H2  1  0.521192  0.944527  0.235911  1
  H  H3  1  0.521192  0.554423  0.267094  1
  H  H4  1  1.021192  0.444527  0.235911  1
  H  H5  1  1.021192  1.054423  0.267094  1
  H  H6  1  1.021192  0.746542  0.251655  1
  H  H7  1  0.521192  0.168062  0.297272  1
  H  H8  1  0.521192  0.861514  0.282200  1
  H  H9  1  0.521192  0.474876  0.312323  1
  H  H10  1  1.021192  0.361514  0.282200  1
  H  H11  1  1.021192  0.974876  0.312323  1
  H  H12  1  1.021192  0.668062  0.297272  1
  H  H13  1  0.521192  1.088412  0.342610  1
  H  H14  1  0.521192  0.781655  0.327461  1
  H  H15  1  0.521192  0.395247  0.357749  1
  H  H16  1  1.021192  0.281655  0.327461  1
  H  H17  1  1.021192  0.895247  0.357749  1
  H  H18  1  1.021192  0.588412  0.342610  1
  H  H19  1  0.521192  1.008924  0.388052  1
  H  H20  1  0.521192  0.702089  0.372902  1
  H  H21  1  0.521192  0.315766  0.403200  1
  H  H22  1  1.021192  0.202089  0.372902  1
  H  H23  1  1.021192  0.815766  0.403200  1
  H  H24  1  1.021192  0.508924  0.388052  1
  H  H25  1  0.521192  0.929444  0.433498  1
  H  H26  1  0.521192  0.622606  0.418349  1
  H  H27  1  0.521192  0.236284  0.448647  1
  H  H28  1  1.021192  0.122606  0.418349  1
  H  H29  1  1.021192  0.736284  0.448647  1
  H  H30  1  1.021192  0.429444  0.433498  1
  H  H31  1  0.521192  0.849963  0.478945  1
  H  H32  1  0.521192  0.543123  0.463796  1
  H  H33  1  0.521192  0.156801  0.494093  1
  H  H34  1  1.021192  1.043123  0.463796  1
  H  H35  1  1.021192  0.656801  0.494093  1
  H  H36  1  1.021192  0.349963  0.478945  1
  H  H37  1  0.521192  0.770483  0.524391  1
  H  H38  1  0.521192  0.463640  0.509243  1
  H  H39  1  0.521192  1.077318  0.539541  1
  H  H40  1  1.021192  0.963640  0.509243  1
  H  H41  1  1.021192  0.577318  0.539541  1
  H  H42  1  1.021192  0.270483  0.524391  1
  H  H43  1  0.521192  0.690995  0.569833  1
  H  H44  1  0.521192  0.384160  0.554693  1
  H  H45  1  0.521192  0.997752  0.584982  1
  H  H46  1  1.021192  0.884160  0.554693  1
  H  H47  1  1.021192  0.497752  0.584982  1
  H  H48  1  1.021192  0.190995  0.569833  1
  H  H49  1  0.521192  0.611345  0.615171  1
  H  H50  1  0.521192  0.304531  0.600120  1
  H  H51  1  0.521192  0.917893  0.630243  1
  H  H52  1  1.021192  0.804531  0.600120  1
  H  H53  1  1.021192  0.417893  0.630243  1
  H  H54  1  1.021192  0.111345  0.615171  1
  H  H55  1  0.521192  0.532865  0.660788  1
  H  H56  1  0.521192  0.224984  0.645349  1
  H  H57  1  0.521192  0.834880  0.676532  1
  H  H58  1  1.021192  0.724984  0.645349  1
  H  H59  1  1.021192  0.334880  0.676532  1
  H  H60  1  1.021192  1.032865  0.660788  1
