# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15099635
_cell_length_b   7.91971211
_cell_length_c   48.65134859
_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   H80
_cell_volume   1599.39829859
_cell_formula_units_Z   40
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  0.505216  0.557277  0.275660  1
  H  H2  1  -0.013202  0.518555  0.298665  1
  H  H3  1  0.949548  0.057277  0.275660  1
  H  H4  1  0.467966  1.018555  0.298665  1
  H  H5  1  0.289254  0.286944  0.286860  1
  H  H6  1  0.783883  0.252918  0.309775  1
  H  H7  1  0.165510  0.786944  0.286860  1
  H  H8  1  0.670881  0.752918  0.309775  1
  H  H9  1  0.478891  0.482543  0.321674  1
  H  H10  1  -0.022259  0.442013  0.343840  1
  H  H11  1  0.975873  0.982543  0.321674  1
  H  H12  1  0.477023  0.942013  0.343840  1
  H  H13  1  0.282649  0.212736  0.332710  1
  H  H14  1  0.780054  0.171859  0.354926  1
  H  H15  1  0.172115  0.712736  0.332710  1
  H  H16  1  0.674710  0.671859  0.354926  1
  H  H17  1  0.479910  0.401260  0.366190  1
  H  H18  1  -0.018293  0.360427  0.388592  1
  H  H19  1  0.974854  0.901260  0.366190  1
  H  H20  1  0.473056  0.860427  0.388592  1
  H  H21  1  0.276784  0.129784  0.377322  1
  H  H22  1  0.767370  0.088263  0.399906  1
  H  H23  1  0.177980  0.629784  0.377322  1
  H  H24  1  0.687393  0.588263  0.399906  1
  H  H25  1  0.475145  0.317813  0.410832  1
  H  H26  1  0.954793  0.299065  0.433745  1
  H  H27  1  -0.020381  0.817813  0.410832  1
  H  H28  1  0.499970  0.799065  0.433745  1
  H  H29  1  0.233529  0.056739  0.423354  1
  H  H30  1  0.686423  0.059601  0.446825  1
  H  H31  1  0.221234  0.556739  0.423354  1
  H  H32  1  0.768340  0.559601  0.446825  1
  H  H33  1  0.427447  0.320496  0.456687  1
  H  H34  1  0.896520  0.352859  0.479814  1
  H  H35  1  0.027317  0.820496  0.456687  1
  H  H36  1  0.558243  0.852859  0.479814  1
  H  H37  1  0.139064  0.090294  0.470527  1
  H  H38  1  0.598883  0.125581  0.493646  1
  H  H39  1  0.315700  0.590294  0.470527  1
  H  H40  1  0.855881  0.625581  0.493646  1
  H  H41  1  0.355881  0.383437  0.503408  1
  H  H42  1  0.815700  0.418724  0.526527  1
  H  H43  1  0.098883  0.883437  0.503408  1
  H  H44  1  0.639064  0.918724  0.526527  1
  H  H45  1  0.058243  0.156159  0.517239  1
  H  H46  1  0.527317  0.188522  0.540367  1
  H  H47  1  0.396520  0.656159  0.517239  1
  H  H48  1  0.927447  0.688522  0.540367  1
  H  H49  1  0.268340  0.449417  0.550228  1
  H  H50  1  0.721234  0.452279  0.573699  1
  H  H51  1  0.186423  0.949417  0.550228  1
  H  H52  1  0.733529  0.952279  0.573699  1
  H  H53  1  -0.000030  0.209953  0.563308  1
  H  H54  1  0.479619  0.191205  0.586221  1
  H  H55  1  0.454793  0.709953  0.563308  1
  H  H56  1  0.975145  0.691205  0.586221  1
  H  H57  1  0.187393  0.420755  0.597147  1
  H  H58  1  0.677980  0.379234  0.619731  1
  H  H59  1  0.267370  0.920755  0.597147  1
  H  H60  1  0.776784  0.879234  0.619731  1
  H  H61  1  0.973056  0.148591  0.608461  1
  H  H62  1  0.474854  0.107758  0.630863  1
  H  H63  1  0.481707  0.648591  0.608461  1
  H  H64  1  -0.020090  0.607758  0.630863  1
  H  H65  1  0.174710  0.337159  0.642128  1
  H  H66  1  0.672115  0.296281  0.664343  1
  H  H67  1  0.280054  0.837159  0.642128  1
  H  H68  1  0.782649  0.796281  0.664343  1
  H  H69  1  0.977023  0.067005  0.653213  1
  H  H70  1  0.475873  1.026475  0.675379  1
  H  H71  1  0.477741  0.567005  0.653213  1
  H  H72  1  -0.021109  0.526475  0.675379  1
  H  H73  1  0.170881  0.256100  0.687278  1
  H  H74  1  0.665510  0.222074  0.710194  1
  H  H75  1  0.283883  0.756100  0.687278  1
  H  H76  1  0.789254  0.722074  0.710194  1
  H  H77  1  0.967966  0.990462  0.698388  1
  H  H78  1  0.449548  0.951741  0.721393  1
  H  H79  1  0.486798  0.490462  0.698388  1
  H  H80  1  0.005216  0.451741  0.721393  1
