# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96968780
_cell_length_b   4.46796256
_cell_length_c   47.77851956
_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   H44
_cell_volume   847.419719746
_cell_formula_units_Z   22
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  0.330427  0.844242  0.298405  1
  H  H2  1  0.835174  0.973802  0.277017  1
  H  H3  1  0.174560  0.344242  0.298405  1
  H  H4  1  0.669813  0.473802  0.277017  1
  H  H5  1  0.332228  0.578485  0.340452  1
  H  H6  1  0.830517  0.709722  0.319872  1
  H  H7  1  0.172759  0.078485  0.340452  1
  H  H8  1  0.674470  0.209722  0.319872  1
  H  H9  1  0.334768  0.315015  0.382067  1
  H  H10  1  0.834013  0.446175  0.361374  1
  H  H11  1  0.170220  0.815015  0.382067  1
  H  H12  1  0.670974  0.946175  0.361374  1
  H  H13  1  0.335086  0.051923  0.423686  1
  H  H14  1  0.835066  0.183340  0.402926  1
  H  H15  1  0.169902  0.551923  0.423686  1
  H  H16  1  0.669921  0.683340  0.402926  1
  H  H17  1  0.335089  0.788830  0.465296  1
  H  H18  1  0.835105  0.920322  0.444513  1
  H  H19  1  0.169898  0.288830  0.465296  1
  H  H20  1  0.669883  0.420322  0.444513  1
  H  H21  1  0.335092  0.525753  0.506898  1
  H  H22  1  0.835092  0.657259  0.486109  1
  H  H23  1  0.169896  0.025753  0.506898  1
  H  H24  1  0.669896  0.157259  0.486109  1
  H  H25  1  0.335105  0.262690  0.548495  1
  H  H26  1  0.835089  0.394182  0.527712  1
  H  H27  1  0.169883  0.762690  0.548495  1
  H  H28  1  0.669898  0.894182  0.527712  1
  H  H29  1  0.335066  0.999673  0.590081  1
  H  H30  1  0.835086  0.131089  0.569321  1
  H  H31  1  0.169921  0.499673  0.590081  1
  H  H32  1  0.669902  0.631089  0.569321  1
  H  H33  1  0.334013  0.736837  0.631633  1
  H  H34  1  0.834768  0.867997  0.610940  1
  H  H35  1  0.170974  0.236837  0.631633  1
  H  H36  1  0.670220  0.367997  0.610940  1
  H  H37  1  0.330517  0.473290  0.673135  1
  H  H38  1  0.832228  0.604527  0.652555  1
  H  H39  1  0.174470  0.973290  0.673135  1
  H  H40  1  0.672759  0.104527  0.652555  1
  H  H41  1  0.335174  0.209210  0.715990  1
  H  H42  1  0.830427  0.338771  0.694602  1
  H  H43  1  0.169813  0.709210  0.715990  1
  H  H44  1  0.674560  0.838771  0.694602  1
