# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04138681
_cell_length_b   3.04595442
_cell_length_c   46.26929337
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.17983377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   408.070114916
_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  0.751827  0.254897  0.288161  1
  H  H2  1  0.911043  0.096065  0.304821  1
  H  H3  1  0.099425  0.908136  0.324532  1
  H  H4  1  0.272168  0.735809  0.342608  1
  H  H5  1  0.451353  0.557056  0.361357  1
  H  H6  1  0.627435  0.381398  0.379781  1
  H  H7  1  0.804927  0.204334  0.398353  1
  H  H8  1  0.981759  0.027928  0.416856  1
  H  H9  1  0.158896  0.851218  0.435391  1
  H  H10  1  0.335890  0.674650  0.453911  1
  H  H11  1  0.512952  0.498015  0.472438  1
  H  H12  1  0.689980  0.321413  0.490961  1
  H  H13  1  0.867028  0.144791  0.509487  1
  H  H14  1  0.044056  0.968189  0.528010  1
  H  H15  1  0.221118  0.791554  0.546537  1
  H  H16  1  0.398112  0.614986  0.565057  1
  H  H17  1  0.575249  0.438276  0.583592  1
  H  H18  1  0.752081  0.261871  0.602095  1
  H  H19  1  0.929573  0.084806  0.620667  1
  H  H20  1  0.105655  0.909148  0.639091  1
  H  H21  1  0.284840  0.730395  0.657840  1
  H  H22  1  0.457583  0.558068  0.675915  1
  H  H23  1  0.645965  0.370140  0.695627  1
  H  H24  1  0.805181  0.211307  0.712287  1
