# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27962529
_cell_length_b   4.49379430
_cell_length_c   49.19841295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.13038907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   487.119084194
_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  0.450285  0.606690  0.284926  1
  H  H2  1  0.189393  0.128955  0.280911  1
  H  H3  1  0.062269  0.383945  0.322359  1
  H  H4  1  0.799846  0.908667  0.318416  1
  H  H5  1  0.673991  0.161339  0.359297  1
  H  H6  1  0.411635  0.685913  0.355204  1
  H  H7  1  0.285668  0.938738  0.396310  1
  H  H8  1  0.023189  0.463615  0.392213  1
  H  H9  1  0.897297  0.716280  0.433340  1
  H  H10  1  0.634814  0.241159  0.429237  1
  H  H11  1  0.508927  0.493820  0.470365  1
  H  H12  1  0.246437  0.018711  0.466262  1
  H  H13  1  0.120554  0.271365  0.507391  1
  H  H14  1  0.858064  0.796255  0.503287  1
  H  H15  1  0.732177  0.048917  0.544416  1
  H  H16  1  0.469694  0.573795  0.540313  1
  H  H17  1  0.343802  0.826460  0.581440  1
  H  H18  1  0.081323  0.351337  0.577342  1
  H  H19  1  0.955356  0.604162  0.618448  1
  H  H20  1  0.693000  0.128736  0.614356  1
  H  H21  1  0.567145  0.381408  0.655237  1
  H  H22  1  0.304722  0.906131  0.651294  1
  H  H23  1  0.177598  0.161120  0.692742  1
  H  H24  1  0.916705  0.683385  0.688727  1
