# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13119765
_cell_length_b   12.53410846
_cell_length_c   49.70419937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.81131595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H30
_cell_volume   3129.04065913
_cell_formula_units_Z   15
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  0.534753  0.569507  0.326389  1
  H  H2  1  0.679555  0.859110  0.354167  1
  H  H3  1  0.389952  0.279903  0.298611  1
  H  H4  1  0.085289  0.670578  0.368056  1
  H  H5  1  0.795686  0.091372  0.312500  1
  H  H6  1  0.940488  0.380975  0.340278  1
  H  H7  1  0.969158  0.438317  0.409722  1
  H  H8  1  0.113960  0.727920  0.437500  1
  H  H9  1  0.824357  0.148714  0.381944  1
  H  H10  1  0.519694  0.539389  0.451389  1
  H  H11  1  0.230091  0.960182  0.395833  1
  H  H12  1  0.374893  0.249785  0.423611  1
  H  H13  1  0.403564  0.307127  0.493056  1
  H  H14  1  0.548365  0.596731  0.520833  1
  H  H15  1  0.258762  0.017524  0.465278  1
  H  H16  1  0.954099  0.408199  0.534722  1
  H  H17  1  0.664496  0.828992  0.479167  1
  H  H18  1  0.809298  0.118596  0.506944  1
  H  H19  1  0.837969  0.175937  0.576389  1
  H  H20  1  0.982770  0.465541  0.604167  1
  H  H21  1  0.693167  0.886334  0.548611  1
  H  H22  1  0.388505  0.277009  0.618056  1
  H  H23  1  0.098901  0.697802  0.562500  1
  H  H24  1  0.243703  0.987406  0.590278  1
  H  H25  1  0.272374  0.044748  0.659722  1
  H  H26  1  0.417176  0.334351  0.687500  1
  H  H27  1  0.127572  0.755144  0.631944  1
  H  H28  1  0.822910  0.145819  0.701389  1
  H  H29  1  0.533306  0.566613  0.645833  1
  H  H30  1  0.678108  0.856216  0.673611  1
