# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52502805
_cell_length_b   4.48463842
_cell_length_c   48.87623705
_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   971.811619198
_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  0.617091  0.876304  0.268613  1
  H  H2  1  0.262420  0.355076  0.272483  1
  H  H3  1  0.117091  0.876304  0.268613  1
  H  H4  1  0.762420  0.355076  0.272483  1
  H  H5  1  0.426671  0.653146  0.306318  1
  H  H6  1  0.064271  0.129126  0.310130  1
  H  H7  1  0.926671  0.653146  0.306318  1
  H  H8  1  0.564271  0.129126  0.310130  1
  H  H9  1  0.231742  0.428132  0.343253  1
  H  H10  1  0.867068  0.904401  0.347246  1
  H  H11  1  0.731742  0.428132  0.343253  1
  H  H12  1  0.367068  0.904401  0.347246  1
  H  H13  1  0.035907  0.203483  0.380415  1
  H  H14  1  0.671650  0.679294  0.384426  1
  H  H15  1  0.535907  0.203483  0.380415  1
  H  H16  1  0.171650  0.679294  0.384426  1
  H  H17  1  0.840346  0.978573  0.417594  1
  H  H18  1  0.476271  0.454331  0.421615  1
  H  H19  1  0.340346  0.978573  0.417594  1
  H  H20  1  0.976271  0.454331  0.421615  1
  H  H21  1  0.644878  0.753651  0.454776  1
  H  H22  1  0.280821  0.229385  0.458799  1
  H  H23  1  0.144878  0.753651  0.454776  1
  H  H24  1  0.780821  0.229385  0.458799  1
  H  H25  1  0.449414  0.528715  0.491959  1
  H  H26  1  0.085357  1.004449  0.495981  1
  H  H27  1  0.949414  0.528715  0.491959  1
  H  H28  1  0.585357  1.004449  0.495981  1
  H  H29  1  0.253963  0.303769  0.529142  1
  H  H30  1  0.889889  0.779527  0.533163  1
  H  H31  1  0.753963  0.303769  0.529142  1
  H  H32  1  0.389889  0.779527  0.533163  1
  H  H33  1  0.058585  0.078806  0.566331  1
  H  H34  1  0.694327  0.554617  0.570342  1
  H  H35  1  0.558585  0.078806  0.566331  1
  H  H36  1  0.194327  0.554617  0.570342  1
  H  H37  1  0.863167  0.853699  0.603511  1
  H  H38  1  0.498492  0.329968  0.607504  1
  H  H39  1  0.363167  0.853699  0.603511  1
  H  H40  1  0.998492  0.329968  0.607504  1
  H  H41  1  0.665964  0.628974  0.640627  1
  H  H42  1  0.303564  0.104954  0.644439  1
  H  H43  1  0.165964  0.628974  0.640627  1
  H  H44  1  0.803564  0.104954  0.644439  1
  H  H45  1  0.467815  0.403024  0.678274  1
  H  H46  1  0.113144  0.881796  0.682144  1
  H  H47  1  0.967815  0.403024  0.678274  1
  H  H48  1  0.613144  0.881796  0.682144  1
