# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13119765
_cell_length_b   9.18973731
_cell_length_c   49.90925452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.21132234
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   2259.86269843
_cell_formula_units_Z   12
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  0.310601  0.121201  0.304487  1
  H  H2  1  0.497203  0.494406  0.342949  1
  H  H3  1  0.488432  0.476864  0.272436  1
  H  H4  1  0.675034  0.850069  0.310897  1
  H  H5  1  0.683805  0.867610  0.381410  1
  H  H6  1  0.870407  0.240814  0.419872  1
  H  H7  1  0.861636  0.223273  0.349359  1
  H  H8  1  0.048239  0.596477  0.387821  1
  H  H9  1  0.057009  0.614019  0.458333  1
  H  H10  1  0.243612  0.987223  0.496795  1
  H  H11  1  0.234841  0.969682  0.426282  1
  H  H12  1  0.421443  0.342886  0.464744  1
  H  H13  1  0.430214  0.360427  0.535256  1
  H  H14  1  0.616816  0.733632  0.573718  1
  H  H15  1  0.608045  0.716090  0.503205  1
  H  H16  1  0.794647  0.089295  0.541667  1
  H  H17  1  0.803418  0.106836  0.612179  1
  H  H18  1  0.990020  0.480041  0.650641  1
  H  H19  1  0.981250  0.462499  0.580128  1
  H  H20  1  0.167852  0.835704  0.618590  1
  H  H21  1  0.176622  0.853245  0.689103  1
  H  H22  1  0.363225  0.226449  0.727564  1
  H  H23  1  0.354454  0.208908  0.657051  1
  H  H24  1  0.541056  0.582112  0.695513  1
