# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55754963
_cell_length_b   6.09213718
_cell_length_c   45.89887661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.98258771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H58
_cell_volume   982.475433073
_cell_formula_units_Z   29
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  0.727012  0.022971  0.285507  1
  H  H2  1  0.727012  0.522971  0.285507  1
  H  H3  1  0.907744  0.951341  0.299346  1
  H  H4  1  0.907744  0.451341  0.299346  1
  H  H5  1  0.121584  0.866590  0.315720  1
  H  H6  1  0.121584  0.366590  0.315720  1
  H  H7  1  0.317671  0.788875  0.330734  1
  H  H8  1  0.317671  0.288875  0.330734  1
  H  H9  1  0.521070  0.708262  0.346309  1
  H  H10  1  0.521070  0.208262  0.346309  1
  H  H11  1  0.720948  0.629045  0.361614  1
  H  H12  1  0.720948  0.129045  0.361614  1
  H  H13  1  0.922425  0.549193  0.377041  1
  H  H14  1  0.922425  0.049193  0.377041  1
  H  H15  1  0.123153  0.469639  0.392411  1
  H  H16  1  0.123153  0.969639  0.392411  1
  H  H17  1  0.324228  0.389947  0.407807  1
  H  H18  1  0.324228  0.889947  0.407807  1
  H  H19  1  0.525141  0.310319  0.423191  1
  H  H20  1  0.525141  0.810319  0.423191  1
  H  H21  1  0.726129  0.230661  0.438581  1
  H  H22  1  0.726129  0.730661  0.438581  1
  H  H23  1  0.927082  0.151018  0.453968  1
  H  H24  1  0.927082  0.651018  0.453968  1
  H  H25  1  0.128052  0.071368  0.469357  1
  H  H26  1  0.128052  0.571368  0.469357  1
  H  H27  1  0.329014  0.991720  0.484745  1
  H  H28  1  0.329014  0.491720  0.484745  1
  H  H29  1  0.529979  0.912072  0.500133  1
  H  H30  1  0.529979  0.412072  0.500133  1
  H  H31  1  0.730944  0.832423  0.515521  1
  H  H32  1  0.730944  0.332423  0.515521  1
  H  H33  1  0.931906  0.752776  0.530909  1
  H  H34  1  0.931906  0.252776  0.530909  1
  H  H35  1  0.132875  0.673126  0.546297  1
  H  H36  1  0.132875  0.173126  0.546297  1
  H  H37  1  0.333829  0.593482  0.561684  1
  H  H38  1  0.333829  0.093482  0.561684  1
  H  H39  1  0.534817  0.513825  0.577074  1
  H  H40  1  0.534817  0.013825  0.577074  1
  H  H41  1  0.735730  0.434197  0.592458  1
  H  H42  1  0.735730  0.934197  0.592458  1
  H  H43  1  0.936805  0.354505  0.607855  1
  H  H44  1  0.936805  0.854505  0.607855  1
  H  H45  1  0.137533  0.274951  0.623225  1
  H  H46  1  0.137533  0.774951  0.623225  1
  H  H47  1  0.339010  0.195099  0.638652  1
  H  H48  1  0.339010  0.695099  0.638652  1
  H  H49  1  0.538887  0.115882  0.653957  1
  H  H50  1  0.538887  0.615882  0.653957  1
  H  H51  1  0.742287  0.035269  0.669532  1
  H  H52  1  0.742287  0.535269  0.669532  1
  H  H53  1  0.938374  0.957553  0.684546  1
  H  H54  1  0.938374  0.457553  0.684546  1
  H  H55  1  0.152213  0.872802  0.700920  1
  H  H56  1  0.152213  0.372802  0.700920  1
  H  H57  1  0.332946  0.801173  0.714759  1
  H  H58  1  0.332946  0.301173  0.714759  1
