# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27924629
_cell_length_b   6.17421004
_cell_length_c   62.79239165
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   861.274289983
_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  0.647647  0.974005  0.157282  1
  H  H2  1  0.297181  0.282853  0.172648  1
  H  H3  1  0.972776  0.626507  0.164328  1
  H  H4  1  1.120199  0.917476  0.189370  1
  H  H5  1  0.769432  0.223872  0.204719  1
  H  H6  1  0.446681  0.571689  0.196754  1
  H  H7  1  0.598433  0.858181  0.220951  1
  H  H8  1  0.244182  0.163387  0.236580  1
  H  H9  1  0.921648  0.511165  0.228672  1
  H  H10  1  1.074139  0.798921  0.252775  1
  H  H11  1  0.719633  0.103971  0.268547  1
  H  H12  1  0.396609  0.451454  0.260630  1
  H  H13  1  0.549209  0.739865  0.284658  1
  H  H14  1  1.194922  1.044888  0.300547  1
  H  H15  1  0.871709  0.392318  0.292591  1
  H  H16  1  1.024186  0.681104  0.316582  1
  H  H17  1  0.670106  0.986098  0.332549  1
  H  H18  1  0.346887  0.333558  0.324562  1
  H  H19  1  0.499138  0.622525  0.348538  1
  H  H20  1  1.145188  0.927504  0.364544  1
  H  H21  1  0.822071  0.274998  0.356540  1
  H  H22  1  0.297252  0.216506  0.388522  1
  H  H23  1  0.974135  0.564000  0.380517  1
  H  H24  1  0.620184  0.868979  0.396524  1
  H  H25  1  0.772435  0.157946  0.420500  1
  H  H26  1  0.449216  0.505406  0.412513  1
  H  H27  1  1.095136  0.810400  0.428480  1
  H  H28  1  0.247614  0.099186  0.452471  1
  H  H29  1  0.924400  0.446615  0.444515  1
  H  H30  1  0.570113  0.751639  0.460404  1
  H  H31  1  0.722713  1.040050  0.484432  1
  H  H32  1  0.399689  0.387533  0.476515  1
  H  H33  1  1.045183  0.692583  0.492287  1
  H  H34  1  1.197674  0.980339  0.516389  1
  H  H35  1  0.875140  0.328117  0.508482  1
  H  H36  1  0.520889  0.633323  0.524111  1
  H  H37  1  0.672641  0.919815  0.548308  1
  H  H38  1  0.349891  0.267632  0.540343  1
  H  H39  1  0.999123  0.574028  0.555692  1
  H  H40  1  1.146547  0.864997  0.580734  1
  H  H41  1  0.822141  0.208651  0.572414  1
  H  H42  1  0.471675  0.517499  0.587780  1
