# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52348316
_cell_length_b   4.48496325
_cell_length_c   48.85119904
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   971.052501399
_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  0.617692  0.876286  0.268729  1
  H  H2  1  0.262832  0.355110  0.272596  1
  H  H3  1  0.117692  0.876286  0.268729  1
  H  H4  1  0.762832  0.355110  0.272596  1
  H  H5  1  0.427228  0.653130  0.306457  1
  H  H6  1  0.064661  0.129174  0.310266  1
  H  H7  1  0.927228  0.653130  0.306457  1
  H  H8  1  0.564661  0.129174  0.310266  1
  H  H9  1  0.232250  0.428107  0.343417  1
  H  H10  1  0.867376  0.904434  0.347404  1
  H  H11  1  0.732250  0.428107  0.343417  1
  H  H12  1  0.367376  0.904434  0.347404  1
  H  H13  1  0.036354  0.203441  0.380602  1
  H  H14  1  0.671901  0.679317  0.384608  1
  H  H15  1  0.536354  0.203441  0.380602  1
  H  H16  1  0.171901  0.679317  0.384608  1
  H  H17  1  0.840732  0.978519  0.417805  1
  H  H18  1  0.476458  0.454341  0.421820  1
  H  H19  1  0.340732  0.978519  0.417805  1
  H  H20  1  0.976458  0.454341  0.421820  1
  H  H21  1  0.645200  0.753585  0.455011  1
  H  H22  1  0.280941  0.229383  0.459028  1
  H  H23  1  0.145200  0.753585  0.455011  1
  H  H24  1  0.780941  0.229383  0.459028  1
  H  H25  1  0.449671  0.528638  0.492217  1
  H  H26  1  0.085412  1.004436  0.496234  1
  H  H27  1  0.949671  0.528638  0.492217  1
  H  H28  1  0.585412  1.004436  0.496234  1
  H  H29  1  0.254154  0.303680  0.529424  1
  H  H30  1  0.889880  0.779502  0.533439  1
  H  H31  1  0.754154  0.303680  0.529424  1
  H  H32  1  0.389880  0.779502  0.533439  1
  H  H33  1  0.058711  0.078704  0.566637  1
  H  H34  1  0.694259  0.554580  0.570642  1
  H  H35  1  0.558711  0.078704  0.566637  1
  H  H36  1  0.194259  0.554580  0.570642  1
  H  H37  1  0.863236  0.853587  0.603840  1
  H  H38  1  0.498362  0.329914  0.607828  1
  H  H39  1  0.363236  0.853587  0.603840  1
  H  H40  1  0.998362  0.329914  0.607828  1
  H  H41  1  0.665951  0.628847  0.640979  1
  H  H42  1  0.303384  0.104891  0.644787  1
  H  H43  1  0.165951  0.628847  0.640979  1
  H  H44  1  0.803384  0.104891  0.644787  1
  H  H45  1  0.467780  0.402911  0.678649  1
  H  H46  1  0.112921  0.881736  0.682516  1
  H  H47  1  0.967780  0.402911  0.678649  1
  H  H48  1  0.612921  0.881736  0.682516  1
