# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27516486
_cell_length_b   5.50443606
_cell_length_c   55.95801605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.51141977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   691.202309198
_cell_formula_units_Z   16
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  -0.019953  0.701159  0.235276  1
  H  H2  1  0.344880  0.969110  0.208926  1
  H  H3  1  0.660933  0.343478  0.221378  1
  H  H4  1  0.935039  0.793143  0.274596  1
  H  H5  1  0.296983  1.067868  0.248459  1
  H  H6  1  0.618694  0.428386  0.261502  1
  H  H7  1  0.892313  0.883399  0.314080  1
  H  H8  1  0.255595  0.156259  0.287789  1
  H  H9  1  0.573754  0.519993  0.300874  1
  H  H10  1  0.848561  0.974019  0.353557  1
  H  H11  1  0.210892  0.247104  0.327242  1
  H  H12  1  0.529864  0.610485  0.340388  1
  H  H13  1  0.804973  1.064511  0.393039  1
  H  H14  1  0.167435  0.337529  0.366720  1
  H  H15  1  0.486221  0.701010  0.379874  1
  H  H16  1  0.123773  0.428026  0.406200  1
  H  H17  1  0.442559  0.791519  0.419360  1
  H  H18  1  0.761344  0.155013  0.432520  1
  H  H19  1  0.080145  0.518528  0.445681  1
  H  H20  1  0.398897  0.882029  0.458846  1
  H  H21  1  0.717682  0.245509  0.472000  1
  H  H22  1  0.036557  0.609020  0.485163  1
  H  H23  1  0.355254  0.972554  0.498333  1
  H  H24  1  0.674226  0.335935  0.511479  1
  H  H25  1  -0.007195  0.699639  0.524640  1
  H  H26  1  0.311363  1.063046  0.537846  1
  H  H27  1  0.629523  0.426779  0.550931  1
  H  H28  1  0.950079  0.789895  0.564124  1
  H  H29  1  0.266424  0.154653  0.577218  1
  H  H30  1  0.588134  0.515170  0.590261  1
  H  H31  1  0.905070  0.881879  0.603444  1
  H  H32  1  0.224184  0.239560  0.617342  1
  H  H33  1  0.540238  0.613928  0.629795  1
