# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30391186
_cell_length_b   7.14391906
_cell_length_c   48.87472901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.80778931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   794.096739587
_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  0.530274  0.939632  0.311198  1
  H  H2  1  0.290863  0.421226  0.265720  1
  H  H3  1  0.918092  0.167243  0.286932  1
  H  H4  1  0.131533  0.729790  0.283031  1
  H  H5  1  0.759185  0.480684  0.306488  1
  H  H6  1  0.378737  0.242853  0.328310  1
  H  H7  1  0.385063  0.231326  0.376774  1
  H  H8  1  0.149904  0.701840  0.332393  1
  H  H9  1  0.768110  0.466010  0.354482  1
  H  H10  1  0.996099  0.007841  0.351189  1
  H  H11  1  0.614979  0.770274  0.372920  1
  H  H12  1  0.232933  0.534438  0.395177  1
  H  H13  1  0.239242  0.522327  0.443362  1
  H  H14  1  0.003308  0.994623  0.399015  1
  H  H15  1  0.621315  0.758391  0.421136  1
  H  H16  1  0.850920  0.298243  0.417438  1
  H  H17  1  0.468938  0.061998  0.439657  1
  H  H18  1  0.086967  0.825719  0.461833  1
  H  H19  1  0.093226  0.813695  0.509989  1
  H  H20  1  0.857212  0.286163  0.465582  1
  H  H21  1  0.475237  0.049892  0.487781  1
  H  H22  1  0.704932  0.589570  0.484053  1
  H  H23  1  0.322921  0.353374  0.506262  1
  H  H24  1  0.940946  0.117102  0.528460  1
  H  H25  1  0.947238  0.105022  0.576605  1
  H  H26  1  0.711191  0.577546  0.532210  1
  H  H27  1  0.329220  0.341267  0.554386  1
  H  H28  1  0.558916  0.880939  0.550681  1
  H  H29  1  0.176843  0.644875  0.572907  1
  H  H30  1  0.794850  0.408643  0.595028  1
  H  H31  1  0.802059  0.395424  0.642854  1
  H  H32  1  0.565225  0.868827  0.598866  1
  H  H33  1  0.183179  0.632992  0.621123  1
  H  H34  1  0.413095  0.171939  0.617269  1
  H  H35  1  0.030048  0.937255  0.639561  1
  H  H36  1  0.648254  0.701425  0.661650  1
  H  H37  1  0.666625  0.673475  0.711012  1
  H  H38  1  0.419421  0.160413  0.665733  1
  H  H39  1  0.038973  0.922581  0.687554  1
  H  H40  1  0.267883  0.463633  0.682845  1
  H  H41  1  0.880066  0.236022  0.707111  1
  H  H42  1  0.507295  0.982040  0.728322  1
