# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.23349215
_cell_length_b   2.28796289
_cell_length_c   63.59773935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.28655911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H15
_cell_volume   301.934134638
_cell_formula_units_Z   7
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  0.062872  0.435369  0.154700  1
  H  H2  1  0.623881  0.990260  0.184872  1
  H  H3  1  0.185255  0.545604  0.214749  1
  H  H4  1  0.745290  1.099741  0.244722  1
  H  H5  1  0.306449  0.654880  0.274702  1
  H  H6  1  0.867225  0.209677  0.304683  1
  H  H7  1  0.428148  0.764606  0.334664  1
  H  H8  1  -0.010982  0.319487  0.364644  1
  H  H9  1  0.549889  0.874369  0.394625  1
  H  H10  1  0.110812  0.429298  0.424605  1
  H  H11  1  0.671588  0.984095  0.454586  1
  H  H12  1  0.232747  0.539233  0.484566  1
  H  H13  1  0.792782  1.093370  0.514539  1
  H  H14  1  0.354156  0.648715  0.544416  1
  H  H15  1  0.915164  0.203606  0.574589  1
