# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42254184
_cell_length_b   4.13045169
_cell_length_c   47.91558575
_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   H24
_cell_volume   677.365564907
_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  0.500003  0.089530  0.339288  1
  H  H2  1  0.500003  0.910471  0.339288  1
  H  H3  1  1.000003  0.589530  0.303574  1
  H  H4  1  1.000003  0.410471  0.303574  1
  H  H5  1  0.500003  0.089530  0.410717  1
  H  H6  1  0.500003  0.910471  0.410717  1
  H  H7  1  1.000003  0.589530  0.375003  1
  H  H8  1  1.000003  0.410471  0.375003  1
  H  H9  1  0.500003  0.089530  0.482146  1
  H  H10  1  0.500003  0.910471  0.482146  1
  H  H11  1  1.000003  0.589530  0.446431  1
  H  H12  1  1.000003  0.410471  0.446431  1
  H  H13  1  0.500003  0.089530  0.553574  1
  H  H14  1  0.500003  0.910471  0.553574  1
  H  H15  1  1.000003  0.589530  0.517860  1
  H  H16  1  1.000003  0.410471  0.517860  1
  H  H17  1  0.500003  0.089530  0.625003  1
  H  H18  1  0.500003  0.910471  0.625003  1
  H  H19  1  1.000003  0.589530  0.589288  1
  H  H20  1  1.000003  0.410471  0.589288  1
  H  H21  1  0.500003  0.089530  0.696431  1
  H  H22  1  0.500003  0.910471  0.696431  1
  H  H23  1  1.000003  0.589530  0.660717  1
  H  H24  1  1.000003  0.410471  0.660717  1
