# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30197818
_cell_length_b   3.98714316
_cell_length_c   47.52655954
_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   H22
_cell_volume   436.213807437
_cell_formula_units_Z   11
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  0.570379  0.700561  0.288002  1
  H  H2  1  1.070379  0.200561  0.288002  1
  H  H3  1  0.570379  0.367228  0.328677  1
  H  H4  1  1.070379  0.867228  0.328677  1
  H  H5  1  0.570379  0.700561  0.368508  1
  H  H6  1  1.070379  0.200561  0.368508  1
  H  H7  1  0.570379  0.033894  0.408449  1
  H  H8  1  1.070379  0.533894  0.408449  1
  H  H9  1  0.570379  0.700561  0.448412  1
  H  H10  1  1.070379  0.200561  0.448412  1
  H  H11  1  0.570379  0.367228  0.488375  1
  H  H12  1  1.070379  0.867228  0.488375  1
  H  H13  1  0.570379  0.700561  0.528338  1
  H  H14  1  1.070379  0.200561  0.528338  1
  H  H15  1  0.570379  0.033894  0.568301  1
  H  H16  1  1.070379  0.533894  0.568301  1
  H  H17  1  0.570379  0.700561  0.608241  1
  H  H18  1  1.070379  0.200561  0.608241  1
  H  H19  1  0.570379  0.367228  0.648073  1
  H  H20  1  1.070379  0.867228  0.648073  1
  H  H21  1  0.570379  0.700561  0.688748  1
  H  H22  1  1.070379  0.200561  0.688748  1
