# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87516450
_cell_length_b   2.28008770
_cell_length_c   64.49559109
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.44895466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   853.178919017
_cell_formula_units_Z   21
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  0.803225  0.559863  0.143645  1
  H  H2  1  0.497599  0.613733  0.160323  1
  H  H3  1  0.154876  0.589614  0.151606  1
  H  H4  1  0.858442  1.133841  0.175602  1
  H  H5  1  0.549426  0.188963  0.191933  1
  H  H6  1  0.202847  1.159088  0.183715  1
  H  H7  1  0.909118  0.704186  0.207064  1
  H  H8  1  0.601108  0.762483  0.223584  1
  H  H9  1  0.255226  0.733009  0.215289  1
  H  H10  1  0.961009  0.276457  0.238686  1
  H  H11  1  0.652953  0.335613  0.255264  1
  H  H12  1  0.306984  0.305879  0.246963  1
  H  H13  1  1.012785  0.849019  0.270345  1
  H  H14  1  0.704745  0.908488  0.286941  1
  H  H15  1  0.358768  0.878716  0.278638  1
  H  H16  1  0.064551  0.421720  0.302012  1
  H  H17  1  0.756517  0.481285  0.318615  1
  H  H18  1  0.410534  0.451493  0.310311  1
  H  H19  1  0.116310  0.994457  0.333682  1
  H  H20  1  0.808279  1.054051  0.350287  1
  H  H21  1  0.462295  1.024252  0.341984  1
  H  H22  1  0.168069  0.567209  0.365354  1
  H  H23  1  0.860038  0.626803  0.381959  1
  H  H24  1  0.514053  0.597008  0.373657  1
  H  H25  1  0.219831  1.139976  0.397026  1
  H  H26  1  0.911797  0.199541  0.413629  1
  H  H27  1  0.565813  0.169768  0.405330  1
  H  H28  1  0.271602  0.712772  0.428700  1
  H  H29  1  0.963563  0.772241  0.445296  1
  H  H30  1  0.617579  0.742544  0.437003  1
  H  H31  1  0.323395  0.285647  0.460377  1
  H  H32  1  1.015338  0.344804  0.476955  1
  H  H33  1  0.669363  0.315381  0.468678  1
  H  H34  1  0.375240  0.858777  0.492057  1
  H  H35  1  0.067230  0.917074  0.508577  1
  H  H36  1  0.721121  0.888252  0.500352  1
  H  H37  1  0.426922  0.432298  0.523708  1
  H  H38  1  0.117906  0.487419  0.540039  1
  H  H39  1  0.773500  0.462172  0.531926  1
  H  H40  1  0.478749  1.007527  0.555318  1
  H  H41  1  0.173122  1.061398  0.571996  1
  H  H42  1  0.821472  1.031647  0.564035  1
