# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85378039
_cell_length_b   4.28225930
_cell_length_c   47.09547634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.03484849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   544.294107024
_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  0.768316  0.908630  0.305801  1
  H  H2  1  0.876205  0.687440  0.291020  1
  H  H3  1  0.967390  0.500496  0.278528  1
  H  H4  1  0.465917  0.528595  0.347231  1
  H  H5  1  0.566761  0.321847  0.333415  1
  H  H6  1  0.669383  0.111457  0.319356  1
  H  H7  1  0.161542  0.152611  0.388932  1
  H  H8  1  0.262990  0.944625  0.375033  1
  H  H9  1  0.364264  0.736998  0.361158  1
  H  H10  1  0.857381  0.776186  0.430603  1
  H  H11  1  0.958769  0.568326  0.416712  1
  H  H12  1  0.060174  0.360430  0.402819  1
  H  H13  1  0.553199  0.399806  0.472277  1
  H  H14  1  0.654593  0.191933  0.458386  1
  H  H15  1  0.755985  0.984063  0.444494  1
  H  H16  1  0.249020  0.023421  0.513951  1
  H  H17  1  0.350413  0.815549  0.500059  1
  H  H18  1  0.451806  0.607677  0.486168  1
  H  H19  1  0.944841  0.647035  0.555624  1
  H  H20  1  0.046233  0.439165  0.541733  1
  H  H21  1  0.147627  0.231292  0.527842  1
  H  H22  1  0.640652  0.270668  0.597299  1
  H  H23  1  0.742057  0.062772  0.583406  1
  H  H24  1  0.843445  0.854912  0.569516  1
  H  H25  1  0.336561  0.894100  0.638961  1
  H  H26  1  0.437835  0.686473  0.625086  1
  H  H27  1  0.539284  0.478487  0.611187  1
  H  H28  1  0.031443  0.519641  0.680763  1
  H  H29  1  0.134064  0.309251  0.666703  1
  H  H30  1  0.234909  0.102503  0.652887  1
  H  H31  1  0.733436  0.130602  0.721591  1
  H  H32  1  0.824621  0.943658  0.709098  1
  H  H33  1  0.932510  0.722468  0.694317  1
