# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81189200
_cell_length_b   22.36637199
_cell_length_c   48.93434864
_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   H42
_cell_volume   4172.05421266
_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  0.750000  0.118421  0.336806  1
  H  H2  1  0.750000  0.907895  0.295139  1
  H  H3  1  0.750000  0.513158  0.315972  1
  H  H4  1  0.250000  0.250000  0.329861  1
  H  H5  1  0.250000  0.039474  0.288194  1
  H  H6  1  0.250000  0.644737  0.309028  1
  H  H7  1  0.750000  0.934211  0.399306  1
  H  H8  1  0.750000  0.723684  0.357639  1
  H  H9  1  0.750000  0.328947  0.378472  1
  H  H10  1  0.250000  0.065789  0.392361  1
  H  H11  1  0.250000  0.855263  0.350694  1
  H  H12  1  0.250000  0.460526  0.371528  1
  H  H13  1  0.750000  0.750000  0.461806  1
  H  H14  1  0.750000  0.539474  0.420139  1
  H  H15  1  0.750000  0.144737  0.440972  1
  H  H16  1  0.250000  0.881579  0.454861  1
  H  H17  1  0.250000  0.671053  0.413194  1
  H  H18  1  0.250000  0.276316  0.434028  1
  H  H19  1  0.750000  0.565789  0.524306  1
  H  H20  1  0.750000  0.355263  0.482639  1
  H  H21  1  0.750000  0.960526  0.503472  1
  H  H22  1  0.250000  0.697368  0.517361  1
  H  H23  1  0.250000  0.486842  0.475694  1
  H  H24  1  0.250000  0.092105  0.496528  1
  H  H25  1  0.750000  0.381579  0.586806  1
  H  H26  1  0.750000  0.171053  0.545139  1
  H  H27  1  0.750000  0.776316  0.565972  1
  H  H28  1  0.250000  0.513158  0.579861  1
  H  H29  1  0.250000  0.302632  0.538194  1
  H  H30  1  0.250000  0.907895  0.559028  1
  H  H31  1  0.750000  0.197368  0.649306  1
  H  H32  1  0.750000  0.986842  0.607639  1
  H  H33  1  0.750000  0.592105  0.628472  1
  H  H34  1  0.250000  0.328947  0.642361  1
  H  H35  1  0.250000  0.118421  0.600694  1
  H  H36  1  0.250000  0.723684  0.621528  1
  H  H37  1  0.750000  0.013158  0.711806  1
  H  H38  1  0.750000  0.802632  0.670139  1
  H  H39  1  0.750000  0.407895  0.690972  1
  H  H40  1  0.250000  0.144737  0.704861  1
  H  H41  1  0.250000  0.934211  0.663194  1
  H  H42  1  0.250000  0.539474  0.684028  1
