# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19701288
_cell_length_b   7.28033776
_cell_length_c   49.04909241
_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   H56
_cell_volume   1141.6339867
_cell_formula_units_Z   28
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  1.008860  0.660774  0.263087  1
  H  H2  1  1.008860  0.051014  0.295244  1
  H  H3  1  0.508860  0.244103  0.310827  1
  H  H4  1  0.508860  0.858787  0.279320  1
  H  H5  1  0.508860  0.551014  0.295244  1
  H  H6  1  0.508860  0.160774  0.263087  1
  H  H7  1  1.008860  0.358787  0.279320  1
  H  H8  1  1.008860  0.744103  0.310827  1
  H  H9  1  0.008860  0.437743  0.326368  1
  H  H10  1  0.008860  0.824519  0.357499  1
  H  H11  1  0.508860  0.017945  0.373120  1
  H  H12  1  0.508860  0.631110  0.341887  1
  H  H13  1  0.508860  0.324519  0.357499  1
  H  H14  1  0.508860  0.937743  0.326368  1
  H  H15  1  0.008860  0.131110  0.341887  1
  H  H16  1  0.008860  0.517945  0.373120  1
  H  H17  1  0.008860  0.211289  0.388732  1
  H  H18  1  1.008860  0.597972  0.419979  1
  H  H19  1  0.508860  0.791309  0.435600  1
  H  H20  1  0.508860  0.404627  0.404357  1
  H  H21  1  0.508860  0.097972  0.419979  1
  H  H22  1  0.508860  0.711289  0.388732  1
  H  H23  1  1.008860  0.904627  0.404357  1
  H  H24  1  1.008860  0.291309  0.435600  1
  H  H25  1  0.008860  0.984650  0.451222  1
  H  H26  1  0.008860  0.371332  0.482464  1
  H  H27  1  0.508860  0.564674  0.498086  1
  H  H28  1  0.508860  0.177992  0.466843  1
  H  H29  1  0.508860  0.871332  0.482464  1
  H  H30  1  0.508860  0.484650  0.451222  1
  H  H31  1  0.008860  0.677992  0.466843  1
  H  H32  1  0.008860  0.064674  0.498086  1
  H  H33  1  1.008860  0.758015  0.513708  1
  H  H34  1  1.008860  0.144697  0.544950  1
  H  H35  1  0.508860  0.338036  0.560576  1
  H  H36  1  0.508860  0.951352  0.529328  1
  H  H37  1  0.508860  0.644697  0.544950  1
  H  H38  1  0.508860  0.258015  0.513708  1
  H  H39  1  1.008860  0.451352  0.529328  1
  H  H40  1  0.008860  0.838036  0.560576  1
  H  H41  1  0.008860  0.531379  0.576188  1
  H  H42  1  0.008860  0.918214  0.607420  1
  H  H43  1  0.508860  0.111581  0.622940  1
  H  H44  1  0.508860  0.724805  0.591809  1
  H  H45  1  0.508860  0.418214  0.607420  1
  H  H46  1  0.508860  0.031379  0.576188  1
  H  H47  1  0.008860  0.224805  0.591809  1
  H  H48  1  0.008860  0.611581  0.622940  1
  H  H49  1  1.008860  0.305222  0.638481  1
  H  H50  1  1.008860  0.690538  0.669988  1
  H  H51  1  0.508860  0.888551  0.686221  1
  H  H52  1  0.508860  0.498310  0.654063  1
  H  H53  1  0.508860  0.190538  0.669988  1
  H  H54  1  0.508860  0.805222  0.638481  1
  H  H55  1  1.008860  0.998310  0.654063  1
  H  H56  1  1.008860  0.388551  0.686221  1
