# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30386799
_cell_length_b   7.14354173
_cell_length_c   48.87738936
_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   794.082898707
_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  0.530257  0.939702  0.311174  1
  H  H2  1  0.290836  0.421310  0.265694  1
  H  H3  1  0.918068  0.167320  0.286907  1
  H  H4  1  0.131523  0.729864  0.283007  1
  H  H5  1  0.759172  0.480746  0.306463  1
  H  H6  1  0.378721  0.242914  0.328286  1
  H  H7  1  0.385050  0.231379  0.376749  1
  H  H8  1  0.149887  0.701901  0.332367  1
  H  H9  1  0.768094  0.466068  0.354456  1
  H  H10  1  0.996087  0.007895  0.351164  1
  H  H11  1  0.614968  0.770323  0.372895  1
  H  H12  1  0.232922  0.534485  0.395151  1
  H  H13  1  0.239233  0.522366  0.443335  1
  H  H14  1  0.003297  0.994670  0.398989  1
  H  H15  1  0.621305  0.758434  0.421110  1
  H  H16  1  0.850911  0.298285  0.417412  1
  H  H17  1  0.468930  0.062036  0.439630  1
  H  H18  1  0.086961  0.825752  0.461807  1
  H  H19  1  0.093222  0.813720  0.509962  1
  H  H20  1  0.857206  0.286198  0.465556  1
  H  H21  1  0.475232  0.049921  0.487754  1
  H  H22  1  0.704928  0.589598  0.484027  1
  H  H23  1  0.322919  0.353397  0.506235  1
  H  H24  1  0.940945  0.117121  0.528433  1
  H  H25  1  0.947239  0.105034  0.576577  1
  H  H26  1  0.711190  0.577567  0.532182  1
  H  H27  1  0.329220  0.341283  0.554358  1
  H  H28  1  0.558917  0.880953  0.550654  1
  H  H29  1  0.176846  0.644885  0.572879  1
  H  H30  1  0.794854  0.408648  0.595000  1
  H  H31  1  0.802063  0.395424  0.642825  1
  H  H32  1  0.565228  0.868834  0.598837  1
  H  H33  1  0.183183  0.632995  0.621094  1
  H  H34  1  0.413101  0.171939  0.617240  1
  H  H35  1  0.030057  0.937251  0.639533  1
  H  H36  1  0.648263  0.701418  0.661621  1
  H  H37  1  0.666628  0.673454  0.710981  1
  H  H38  1  0.419429  0.160405  0.665703  1
  H  H39  1  0.038979  0.922573  0.687526  1
  H  H40  1  0.267894  0.463616  0.682815  1
  H  H41  1  0.880083  0.235998  0.707082  1
  H  H42  1  0.507315  0.982008  0.728294  1
