# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30380011
_cell_length_b   3.99054081
_cell_length_c   41.40448173
_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   H20
_cell_volume   380.648309033
_cell_formula_units_Z   10
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  -0.028548  0.541316  0.362036  1
  H  H2  1  0.471452  1.041316  0.362036  1
  H  H3  1  0.971452  0.207993  0.408077  1
  H  H4  1  0.471452  0.707993  0.408077  1
  H  H5  1  -0.028548  0.874665  0.453278  1
  H  H6  1  0.471452  0.374665  0.453278  1
  H  H7  1  -0.028548  0.541336  0.498694  1
  H  H8  1  0.471452  1.041336  0.498694  1
  H  H9  1  -0.028548  0.208009  0.544124  1
  H  H10  1  0.471452  0.708009  0.544124  1
  H  H11  1  0.971452  0.874681  0.589553  1
  H  H12  1  0.471452  0.374681  0.589553  1
  H  H13  1  0.971452  0.541353  0.634983  1
  H  H14  1  0.471452  1.041353  0.634983  1
  H  H15  1  0.971452  0.208025  0.680400  1
  H  H16  1  0.471452  0.708025  0.680400  1
  H  H17  1  -0.028548  0.874696  0.725600  1
  H  H18  1  0.471452  0.374696  0.725600  1
  H  H19  1  0.971452  0.541374  0.771642  1
  H  H20  1  0.471452  1.041374  0.771642  1
