# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13045310
_cell_length_b   4.84020524
_cell_length_c   48.40205498
_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   H36
_cell_volume   967.665535802
_cell_formula_units_Z   18
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  0.910471  0.500003  0.300003  1
  H  H2  1  0.089530  0.500003  0.300003  1
  H  H3  1  0.410471  1.000003  0.300003  1
  H  H4  1  0.589530  1.000003  0.300003  1
  H  H5  1  0.910471  1.000003  0.350003  1
  H  H6  1  0.089530  1.000003  0.350003  1
  H  H7  1  0.410471  0.500003  0.350003  1
  H  H8  1  0.589530  0.500003  0.350003  1
  H  H9  1  0.910471  0.500003  0.400003  1
  H  H10  1  0.089530  0.500003  0.400003  1
  H  H11  1  0.410471  1.000003  0.400003  1
  H  H12  1  0.589530  1.000003  0.400003  1
  H  H13  1  0.910471  1.000003  0.450003  1
  H  H14  1  0.089530  1.000003  0.450003  1
  H  H15  1  0.410471  0.500003  0.450003  1
  H  H16  1  0.589530  0.500003  0.450003  1
  H  H17  1  0.910471  0.500003  0.500003  1
  H  H18  1  0.089530  0.500003  0.500003  1
  H  H19  1  0.410471  1.000003  0.500003  1
  H  H20  1  0.589530  1.000003  0.500003  1
  H  H21  1  0.910471  1.000003  0.550003  1
  H  H22  1  0.089530  1.000003  0.550003  1
  H  H23  1  0.410471  0.500003  0.550003  1
  H  H24  1  0.589530  0.500003  0.550003  1
  H  H25  1  0.910471  0.500003  0.600003  1
  H  H26  1  0.089530  0.500003  0.600003  1
  H  H27  1  0.410471  1.000003  0.600003  1
  H  H28  1  0.589530  1.000003  0.600003  1
  H  H29  1  0.910471  1.000003  0.650003  1
  H  H30  1  0.089530  1.000003  0.650003  1
  H  H31  1  0.410471  0.500003  0.650003  1
  H  H32  1  0.589530  0.500003  0.650003  1
  H  H33  1  0.910471  0.500003  0.700003  1
  H  H34  1  0.089530  0.500003  0.700003  1
  H  H35  1  0.410471  1.000003  0.700003  1
  H  H36  1  0.589530  1.000003  0.700003  1
