# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76075251
_cell_length_b   5.74318216
_cell_length_c   47.79785300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   979.39298626
_cell_formula_units_Z   24
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  0.639765  0.451020  0.286404  1
  H  H2  1  0.840045  0.876409  0.306084  1
  H  H3  1  0.022711  0.207706  0.277380  1
  H  H4  1  0.246226  0.674910  0.293916  1
  H  H5  1  0.048153  0.326503  0.323263  1
  H  H6  1  0.245396  0.761780  0.341352  1
  H  H7  1  0.447143  0.102551  0.312863  1
  H  H8  1  0.643562  0.539063  0.333205  1
  H  H9  1  0.439938  0.199090  0.359833  1
  H  H10  1  0.638254  0.640535  0.378948  1
  H  H11  1  0.842039  0.982566  0.351304  1
  H  H12  1  0.039511  0.420737  0.369463  1
  H  H13  1  0.835981  0.079632  0.397378  1
  H  H14  1  0.034344  0.519143  0.415741  1
  H  H15  1  0.237390  0.860099  0.387789  1
  H  H16  1  0.435445  0.298868  0.406338  1
  H  H17  1  0.231860  0.958413  0.434188  1
  H  H18  1  0.429439  0.397450  0.452729  1
  H  H19  1  0.632798  0.738613  0.425111  1
  H  H20  1  0.830519  0.178074  0.443589  1
  H  H21  1  0.627030  0.837020  0.471335  1
  H  H22  1  0.824716  0.276476  0.489866  1
  H  H23  1  0.028305  0.617430  0.462050  1
  H  H24  1  0.225909  0.056681  0.480540  1
  H  H25  1  0.022411  0.715734  0.508375  1
  H  H26  1  0.220015  0.154985  0.526865  1
  H  H27  1  0.423604  0.495938  0.499049  1
  H  H28  1  0.621290  0.935395  0.517580  1
  H  H29  1  0.417800  0.594341  0.545326  1
  H  H30  1  0.615521  0.033802  0.563803  1
  H  H31  1  0.818881  0.374965  0.536186  1
  H  H32  1  0.016460  0.814002  0.554726  1
  H  H33  1  0.812875  0.473547  0.582577  1
  H  H34  1  0.010930  0.912316  0.601125  1
  H  H35  1  0.213976  0.253272  0.573173  1
  H  H36  1  0.412339  0.692783  0.591537  1
  H  H37  1  0.208808  0.351677  0.619452  1
  H  H38  1  0.406280  0.789849  0.637611  1
  H  H39  1  0.610066  0.131879  0.609967  1
  H  H40  1  0.808382  0.573324  0.629081  1
  H  H41  1  0.604757  0.233352  0.655710  1
  H  H42  1  0.801177  0.669864  0.676052  1
  H  H43  1  0.002924  1.010635  0.647563  1
  H  H44  1  0.200166  0.445912  0.665651  1
  H  H45  1  0.002093  0.097505  0.694999  1
  H  H46  1  0.225608  0.564709  0.711535  1
  H  H47  1  0.408275  0.896006  0.682831  1
  H  H48  1  0.608555  0.321395  0.702511  1
