# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22767381
_cell_length_b   4.62229127
_cell_length_c   46.32269871
_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   691.099852171
_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  0.504694  0.123397  0.283781  1
  H  H2  1  1.004694  0.373397  0.310189  1
  H  H3  1  1.004694  0.873397  0.310189  1
  H  H4  1  0.504694  0.623397  0.283781  1
  H  H5  1  0.504694  0.623397  0.335245  1
  H  H6  1  1.004694  0.873397  0.360129  1
  H  H7  1  1.004694  0.373397  0.360129  1
  H  H8  1  0.504694  0.123397  0.335245  1
  H  H9  1  0.504694  0.123397  0.385011  1
  H  H10  1  1.004694  0.373397  0.409966  1
  H  H11  1  1.004694  0.873397  0.409966  1
  H  H12  1  0.504694  0.623397  0.385011  1
  H  H13  1  0.504694  0.623397  0.434922  1
  H  H14  1  1.004694  0.873397  0.459884  1
  H  H15  1  1.004694  0.373397  0.459884  1
  H  H16  1  0.504694  0.123397  0.434922  1
  H  H17  1  0.504694  0.123397  0.484843  1
  H  H18  1  1.004694  0.373397  0.509803  1
  H  H19  1  1.004694  0.873397  0.509803  1
  H  H20  1  0.504694  0.623397  0.484843  1
  H  H21  1  0.504694  0.623397  0.534763  1
  H  H22  1  1.004694  0.873397  0.559724  1
  H  H23  1  1.004694  0.373397  0.559724  1
  H  H24  1  0.504694  0.123397  0.534763  1
  H  H25  1  0.504694  0.123397  0.584681  1
  H  H26  1  1.004694  0.373397  0.609635  1
  H  H27  1  1.004694  0.873397  0.609635  1
  H  H28  1  0.504694  0.623397  0.584681  1
  H  H29  1  0.504694  0.623397  0.634517  1
  H  H30  1  1.004694  0.873397  0.659402  1
  H  H31  1  1.004694  0.373397  0.659402  1
  H  H32  1  0.504694  0.123397  0.634517  1
  H  H33  1  0.504694  0.123397  0.684457  1
  H  H34  1  1.004694  0.373397  0.710866  1
  H  H35  1  1.004694  0.873397  0.710866  1
  H  H36  1  0.504694  0.623397  0.684457  1
