# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64152004
_cell_length_b   11.11215093
_cell_length_c   48.16607925
_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   H72
_cell_volume   1949.04619198
_cell_formula_units_Z   36
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  0.000000  0.836530  0.307008  1
  H  H2  1  0.000000  0.134066  0.330818  1
  H  H3  1  0.000000  0.431602  0.354627  1
  H  H4  1  0.000000  0.601876  0.288230  1
  H  H5  1  0.000000  0.899412  0.312040  1
  H  H6  1  0.000000  0.196948  0.335849  1
  H  H7  1  0.500000  0.634066  0.330818  1
  H  H8  1  0.500000  0.931602  0.354627  1
  H  H9  1  0.500000  0.336530  0.307008  1
  H  H10  1  0.500000  0.696948  0.335849  1
  H  H11  1  0.500000  0.101876  0.288230  1
  H  H12  1  0.500000  0.399412  0.312040  1
  H  H13  1  0.000000  0.729139  0.378437  1
  H  H14  1  0.000000  0.026675  0.402246  1
  H  H15  1  0.000000  0.324211  0.426056  1
  H  H16  1  0.000000  0.494484  0.359659  1
  H  H17  1  0.000000  0.792021  0.383469  1
  H  H18  1  0.000000  0.089557  0.407278  1
  H  H19  1  0.500000  0.526675  0.402246  1
  H  H20  1  0.500000  0.824211  0.426056  1
  H  H21  1  0.500000  0.229139  0.378437  1
  H  H22  1  0.500000  0.589557  0.407278  1
  H  H23  1  0.500000  0.994484  0.359659  1
  H  H24  1  0.500000  0.292021  0.383469  1
  H  H25  1  0.000000  0.621747  0.449865  1
  H  H26  1  0.000000  0.919283  0.473675  1
  H  H27  1  0.000000  0.216820  0.497484  1
  H  H28  1  0.000000  0.387093  0.431088  1
  H  H29  1  0.000000  0.684629  0.454897  1
  H  H30  1  0.000000  0.982165  0.478707  1
  H  H31  1  0.500000  0.419283  0.473675  1
  H  H32  1  0.500000  0.716820  0.497484  1
  H  H33  1  0.500000  0.121747  0.449865  1
  H  H34  1  0.500000  0.482165  0.478707  1
  H  H35  1  0.500000  0.887093  0.431088  1
  H  H36  1  0.500000  0.184629  0.454897  1
  H  H37  1  0.000000  0.514356  0.521294  1
  H  H38  1  0.000000  0.811892  0.545103  1
  H  H39  1  0.000000  0.109428  0.568913  1
  H  H40  1  0.000000  0.279702  0.502516  1
  H  H41  1  0.000000  0.577238  0.526326  1
  H  H42  1  0.000000  0.874774  0.550135  1
  H  H43  1  0.500000  0.311892  0.545103  1
  H  H44  1  0.500000  0.609428  0.568913  1
  H  H45  1  0.500000  0.014356  0.521294  1
  H  H46  1  0.500000  0.374774  0.550135  1
  H  H47  1  0.500000  0.779702  0.502516  1
  H  H48  1  0.500000  0.077238  0.526326  1
  H  H49  1  0.000000  0.406965  0.592722  1
  H  H50  1  0.000000  0.704501  0.616532  1
  H  H51  1  0.000000  0.002037  0.640341  1
  H  H52  1  0.000000  0.172310  0.573945  1
  H  H53  1  0.000000  0.469846  0.597754  1
  H  H54  1  0.000000  0.767383  0.621564  1
  H  H55  1  0.500000  0.204501  0.616532  1
  H  H56  1  0.500000  0.502037  0.640341  1
  H  H57  1  0.500000  0.906965  0.592722  1
  H  H58  1  0.500000  0.267383  0.621564  1
  H  H59  1  0.500000  0.672310  0.573945  1
  H  H60  1  0.500000  0.969846  0.597754  1
  H  H61  1  0.000000  0.299573  0.664151  1
  H  H62  1  0.000000  0.597109  0.687960  1
  H  H63  1  0.000000  0.894646  0.711770  1
  H  H64  1  0.000000  0.064919  0.645373  1
  H  H65  1  0.000000  0.362455  0.669183  1
  H  H66  1  0.000000  0.659991  0.692992  1
  H  H67  1  0.500000  0.097109  0.687960  1
  H  H68  1  0.500000  0.394646  0.711770  1
  H  H69  1  0.500000  0.799573  0.664151  1
  H  H70  1  0.500000  0.159991  0.692992  1
  H  H71  1  0.500000  0.564919  0.645373  1
  H  H72  1  0.500000  0.862455  0.669183  1
