# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27044224
_cell_length_b   3.61551630
_cell_length_c   44.04167445
_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   H18
_cell_volume   361.530218253
_cell_formula_units_Z   9
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  0.656796  0.111912  0.304736  1
  H  H2  1  0.156795  0.611912  0.330038  1
  H  H3  1  0.656794  0.111912  0.356027  1
  H  H4  1  0.156799  0.611912  0.381161  1
  H  H5  1  0.656793  0.111912  0.406518  1
  H  H6  1  0.156772  0.611912  0.432328  1
  H  H7  1  0.656829  0.111912  0.456979  1
  H  H8  1  0.156852  0.611912  0.484193  1
  H  H9  1  0.656565  0.111912  0.507060  1
  H  H10  1  0.658240  0.611912  0.535314  1
  H  H11  1  0.157841  0.111912  0.555036  1
  H  H12  1  0.157649  0.611912  0.583842  1
  H  H13  1  0.657209  0.111912  0.603587  1
  H  H14  1  0.659023  0.611912  0.631785  1
  H  H15  1  0.158654  0.111912  0.654749  1
  H  H16  1  0.658589  0.611912  0.681631  1
  H  H17  1  0.158712  0.111912  0.706698  1
  H  H18  1  0.658682  0.611912  0.732627  1
