# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.17471688
_cell_length_b   4.52337901
_cell_length_c   47.04146046
_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   H22
_cell_volume   462.750077412
_cell_formula_units_Z   11
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  0.662368  0.179213  0.300272  1
  H  H2  1  0.162368  0.679213  0.300272  1
  H  H3  1  0.662368  0.897342  0.340405  1
  H  H4  1  0.162368  0.397342  0.340405  1
  H  H5  1  0.662368  0.614341  0.380036  1
  H  H6  1  0.162368  0.114341  0.380036  1
  H  H7  1  0.662368  0.331470  0.419797  1
  H  H8  1  0.162368  0.831470  0.419797  1
  H  H9  1  0.662368  0.048137  0.459647  1
  H  H10  1  0.162368  0.548137  0.459647  1
  H  H11  1  0.162368  0.831470  0.499497  1
  H  H12  1  0.662368  0.331470  0.499497  1
  H  H13  1  0.662368  0.614320  0.539275  1
  H  H14  1  0.162368  0.114320  0.539275  1
  H  H15  1  0.162368  0.397173  0.579058  1
  H  H16  1  0.662368  0.897173  0.579058  1
  H  H17  1  0.662368  0.180046  0.618826  1
  H  H18  1  0.162368  0.680046  0.618826  1
  H  H19  1  0.162368  0.963044  0.658458  1
  H  H20  1  0.662368  0.463044  0.658458  1
  H  H21  1  0.662368  0.744915  0.698592  1
  H  H22  1  0.162368  0.244915  0.698592  1
