# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35569100
_cell_length_b   17.00144119
_cell_length_c   46.49583148
_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   H54
_cell_volume   5024.14923049
_cell_formula_units_Z   27
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  0.250000  0.934211  0.319444  1
  H  H2  1  0.250000  0.723684  0.286111  1
  H  H3  1  0.250000  0.328947  0.302778  1
  H  H4  1  0.750000  0.065789  0.313889  1
  H  H5  1  0.750000  0.855263  0.280556  1
  H  H6  1  0.750000  0.460526  0.297222  1
  H  H7  1  0.250000  0.750000  0.369444  1
  H  H8  1  0.250000  0.539474  0.336111  1
  H  H9  1  0.250000  0.144737  0.352778  1
  H  H10  1  0.750000  0.881579  0.363889  1
  H  H11  1  0.750000  0.671053  0.330556  1
  H  H12  1  0.750000  0.276316  0.347222  1
  H  H13  1  0.250000  0.565789  0.419444  1
  H  H14  1  0.250000  0.355263  0.386111  1
  H  H15  1  0.250000  0.960526  0.402778  1
  H  H16  1  0.750000  0.697368  0.413889  1
  H  H17  1  0.750000  0.486842  0.380556  1
  H  H18  1  0.750000  0.092105  0.397222  1
  H  H19  1  0.250000  0.381579  0.469444  1
  H  H20  1  0.250000  0.171053  0.436111  1
  H  H21  1  0.250000  0.776316  0.452778  1
  H  H22  1  0.750000  0.513158  0.463889  1
  H  H23  1  0.750000  0.302632  0.430556  1
  H  H24  1  0.750000  0.907895  0.447222  1
  H  H25  1  0.250000  0.197368  0.519444  1
  H  H26  1  0.250000  0.986842  0.486111  1
  H  H27  1  0.250000  0.592105  0.502778  1
  H  H28  1  0.750000  0.328947  0.513889  1
  H  H29  1  0.750000  0.118421  0.480556  1
  H  H30  1  0.750000  0.723684  0.497222  1
  H  H31  1  0.250000  0.013158  0.569444  1
  H  H32  1  0.250000  0.802632  0.536111  1
  H  H33  1  0.250000  0.407895  0.552778  1
  H  H34  1  0.750000  0.144737  0.563889  1
  H  H35  1  0.750000  0.934211  0.530556  1
  H  H36  1  0.750000  0.539474  0.547222  1
  H  H37  1  0.250000  0.828947  0.619444  1
  H  H38  1  0.250000  0.618421  0.586111  1
  H  H39  1  0.250000  0.223684  0.602778  1
  H  H40  1  0.750000  0.960526  0.613889  1
  H  H41  1  0.750000  0.750000  0.580556  1
  H  H42  1  0.750000  0.355263  0.597222  1
  H  H43  1  0.250000  0.644737  0.669444  1
  H  H44  1  0.250000  0.434211  0.636111  1
  H  H45  1  0.250000  0.039474  0.652778  1
  H  H46  1  0.750000  0.776316  0.663889  1
  H  H47  1  0.750000  0.565789  0.630556  1
  H  H48  1  0.750000  0.171053  0.647222  1
  H  H49  1  0.250000  0.460526  0.719444  1
  H  H50  1  0.250000  0.250000  0.686111  1
  H  H51  1  0.250000  0.855263  0.702778  1
  H  H52  1  0.750000  0.592105  0.713889  1
  H  H53  1  0.750000  0.381579  0.680556  1
  H  H54  1  0.750000  0.986842  0.697222  1
