# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26778794
_cell_length_b   5.76729757
_cell_length_c   43.74337585
_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   H27
_cell_volume   572.119958371
_cell_formula_units_Z   13
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  0.676561  0.694808  0.331535  1
  H  H2  1  0.176561  0.948880  0.367742  1
  H  H3  1  0.176561  0.326067  0.349549  1
  H  H4  1  0.676561  0.599657  0.380835  1
  H  H5  1  0.676561  0.878411  0.415923  1
  H  H6  1  0.676561  0.235157  0.397206  1
  H  H7  1  0.176561  0.521597  0.426583  1
  H  H8  1  0.176561  0.797414  0.461453  1
  H  H9  1  0.176561  0.167080  0.444912  1
  H  H10  1  0.676561  0.451030  0.476360  1
  H  H11  1  0.176561  0.713380  0.510608  1
  H  H12  1  0.676561  0.072105  0.490689  1
  H  H13  1  0.176561  0.334056  0.525102  1
  H  H14  1  0.676561  0.617745  0.556259  1
  H  H15  1  0.676561  0.988371  0.539857  1
  H  H16  1  0.676561  0.262175  0.575218  1
  H  H17  1  0.176561  0.548121  0.603357  1
  H  H18  1  0.176561  0.909193  0.585333  1
  H  H19  1  0.176561  0.184449  0.622110  1
  H  H20  1  0.676561  0.473827  0.649712  1
  H  H21  1  0.676561  0.835111  0.632280  1
  H  H22  1  0.676561  0.107915  0.668539  1
  H  H23  1  0.676561  0.418011  0.699773  1
  H  H24  1  0.176561  0.756401  0.680903  1
  H  H25  1  0.176561  0.069268  0.714893  1
  H  H26  1  0.176561  0.379173  0.746856  1
  H  H27  1  0.676561  0.733173  0.730448  1
