# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22007372
_cell_length_b   7.69556295
_cell_length_c   48.77181597
_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   H40
_cell_volume   833.252676296
_cell_formula_units_Z   20
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  0.999127  0.857501  0.283462  1
  H  H2  1  -0.000873  0.142462  0.283462  1
  H  H3  1  0.499127  0.361848  0.306815  1
  H  H4  1  0.499127  0.638115  0.306815  1
  H  H5  1  -0.000873  0.863293  0.329627  1
  H  H6  1  0.999127  0.136670  0.329627  1
  H  H7  1  0.499127  0.362938  0.352209  1
  H  H8  1  0.499127  0.637025  0.352209  1
  H  H9  1  0.999127  0.862811  0.374910  1
  H  H10  1  -0.000873  0.137152  0.374910  1
  H  H11  1  0.499127  0.362822  0.397604  1
  H  H12  1  0.499127  0.637141  0.397604  1
  H  H13  1  -0.000873  0.862813  0.420332  1
  H  H14  1  0.999127  0.137150  0.420332  1
  H  H15  1  0.499127  0.362819  0.443043  1
  H  H16  1  0.499127  0.637144  0.443043  1
  H  H17  1  0.999127  0.862816  0.465767  1
  H  H18  1  -0.000873  0.137147  0.465767  1
  H  H19  1  0.499127  0.362817  0.488480  1
  H  H20  1  0.499127  0.637145  0.488480  1
  H  H21  1  0.999127  0.862817  0.511203  1
  H  H22  1  -0.000873  0.137145  0.511203  1
  H  H23  1  0.499127  0.362816  0.533916  1
  H  H24  1  0.499127  0.637147  0.533916  1
  H  H25  1  -0.000873  0.862819  0.556640  1
  H  H26  1  0.999127  0.137144  0.556640  1
  H  H27  1  0.499127  0.362813  0.579351  1
  H  H28  1  0.499127  0.637150  0.579351  1
  H  H29  1  -0.000873  0.862822  0.602079  1
  H  H30  1  0.999127  0.137141  0.602079  1
  H  H31  1  0.499127  0.362811  0.624773  1
  H  H32  1  0.499127  0.637152  0.624773  1
  H  H33  1  0.999127  0.862938  0.647475  1
  H  H34  1  -0.000873  0.137025  0.647475  1
  H  H35  1  0.499127  0.363293  0.670056  1
  H  H36  1  0.499127  0.636670  0.670056  1
  H  H37  1  -0.000873  0.861848  0.692868  1
  H  H38  1  0.999127  0.138115  0.692868  1
  H  H39  1  0.499127  0.357501  0.716221  1
  H  H40  1  0.499127  0.642462  0.716221  1
