# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.33237355
_cell_length_b   10.62551294
_cell_length_c   42.60499815
_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   H54
_cell_volume   1055.86540936
_cell_formula_units_Z   27
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  0.940643  0.356945  0.395849  1
  H  H2  1  0.911133  0.103482  0.358767  1
  H  H3  1  0.921412  0.723154  0.375283  1
  H  H4  1  0.427478  0.533403  0.381686  1
  H  H5  1  0.414785  0.300688  0.351893  1
  H  H6  1  0.414035  0.912180  0.367000  1
  H  H7  1  -0.023977  0.263320  0.443673  1
  H  H8  1  0.950972  0.993416  0.409471  1
  H  H9  1  -0.032742  0.627030  0.424738  1
  H  H10  1  0.470524  0.447920  0.435392  1
  H  H11  1  0.444574  0.175237  0.401965  1
  H  H12  1  0.460557  0.811162  0.417474  1
  H  H13  1  -0.016991  0.171640  0.492205  1
  H  H14  1  -0.016611  0.899526  0.458888  1
  H  H15  1  -0.013656  0.536973  0.475753  1
  H  H16  1  0.483855  0.354294  0.484242  1
  H  H17  1  0.477404  0.081052  0.451014  1
  H  H18  1  0.486970  0.717431  0.466618  1
  H  H19  1  -0.014204  0.080672  0.541128  1
  H  H20  1  -0.012945  0.808324  0.508018  1
  H  H21  1  -0.014713  0.444992  0.524872  1
  H  H22  1  0.484741  0.262666  0.533048  1
  H  H23  1  0.485754  0.989926  0.500056  1
  H  H24  1  0.486963  0.627114  0.516488  1
  H  H25  1  -0.013818  0.989910  0.590292  1
  H  H26  1  -0.014038  0.717580  0.557385  1
  H  H27  1  -0.014845  0.353400  0.573852  1
  H  H28  1  0.485962  0.171424  0.582086  1
  H  H29  1  0.486182  0.899094  0.549180  1
  H  H30  1  0.485155  0.535605  0.565619  1
  H  H31  1  -0.014246  0.899078  0.639416  1
  H  H32  1  -0.015259  0.626338  0.606423  1
  H  H33  1  -0.013037  0.261890  0.622984  1
  H  H34  1  0.487055  0.080680  0.631454  1
  H  H35  1  0.485796  0.808332  0.598343  1
  H  H36  1  0.485287  0.444013  0.614600  1
  H  H37  1  -0.022596  0.807952  0.688458  1
  H  H38  1  -0.016145  0.534710  0.655230  1
  H  H39  1  -0.013030  0.171573  0.672854  1
  H  H40  1  0.483389  0.989478  0.680584  1
  H  H41  1  0.483009  0.717364  0.647267  1
  H  H42  1  0.486344  0.352032  0.663719  1
  H  H43  1  0.944574  0.713768  0.737507  1
  H  H44  1  -0.029476  0.441084  0.704080  1
  H  H45  1  0.960557  0.077843  0.721998  1
  H  H46  1  0.450972  0.895589  0.730000  1
  H  H47  1  0.476023  0.625685  0.695799  1
  H  H48  1  0.467258  0.261974  0.714734  1
  H  H49  1  0.914785  0.588316  0.787579  1
  H  H50  1  0.927478  0.355602  0.757785  1
  H  H51  1  0.914035  0.976824  0.772472  1
  H  H52  1  0.411133  0.785522  0.780705  1
  H  H53  1  0.440643  0.532060  0.743623  1
  H  H54  1  0.421412  0.165850  0.764189  1
