# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08288651
_cell_length_b   3.56152048
_cell_length_c   45.91939482
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.97873476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H58
_cell_volume   982.507066398
_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  0.981080  0.280714  0.285501  1
  H  H2  1  0.481080  0.280714  0.285501  1
  H  H3  1  0.052902  0.100346  0.299339  1
  H  H4  1  0.552902  0.100346  0.299339  1
  H  H5  1  0.137881  0.886937  0.315713  1
  H  H6  1  0.637881  0.886937  0.315713  1
  H  H7  1  0.215805  0.691245  0.330728  1
  H  H8  1  0.715805  0.691245  0.330728  1
  H  H9  1  0.296635  0.488255  0.346302  1
  H  H10  1  0.796635  0.488255  0.346302  1
  H  H11  1  0.376065  0.288781  0.361607  1
  H  H12  1  0.876065  0.288781  0.361607  1
  H  H13  1  0.456131  0.087709  0.377035  1
  H  H14  1  0.956131  0.087709  0.377035  1
  H  H15  1  0.535899  0.887385  0.392405  1
  H  H16  1  0.035899  0.887385  0.392405  1
  H  H17  1  0.615805  0.686716  0.407801  1
  H  H18  1  0.115805  0.686716  0.407801  1
  H  H19  1  0.695647  0.486207  0.423185  1
  H  H20  1  0.195647  0.486207  0.423185  1
  H  H21  1  0.775519  0.285624  0.438575  1
  H  H22  1  0.275519  0.285624  0.438575  1
  H  H23  1  0.855377  0.085076  0.453962  1
  H  H24  1  0.355377  0.085076  0.453962  1
  H  H25  1  0.935241  0.884511  0.469351  1
  H  H26  1  0.435241  0.884511  0.469351  1
  H  H27  1  0.015102  0.683954  0.484738  1
  H  H28  1  0.515102  0.683954  0.484738  1
  H  H29  1  0.094965  0.483394  0.500127  1
  H  H30  1  0.594965  0.483394  0.500127  1
  H  H31  1  0.174827  0.282834  0.515515  1
  H  H32  1  0.674827  0.282834  0.515515  1
  H  H33  1  0.254689  0.082276  0.530903  1
  H  H34  1  0.754689  0.082276  0.530903  1
  H  H35  1  0.334553  0.881712  0.546291  1
  H  H36  1  0.834553  0.881712  0.546291  1
  H  H37  1  0.414411  0.681163  0.561678  1
  H  H38  1  0.914411  0.681163  0.561678  1
  H  H39  1  0.494282  0.480580  0.577068  1
  H  H40  1  0.994282  0.480580  0.577068  1
  H  H41  1  0.574124  0.280072  0.592452  1
  H  H42  1  0.074124  0.280072  0.592452  1
  H  H43  1  0.654030  0.079402  0.607849  1
  H  H44  1  0.154030  0.079402  0.607849  1
  H  H45  1  0.733799  0.879079  0.623219  1
  H  H46  1  0.233799  0.879079  0.623219  1
  H  H47  1  0.813865  0.678007  0.638646  1
  H  H48  1  0.313865  0.678007  0.638646  1
  H  H49  1  0.893295  0.478532  0.653951  1
  H  H50  1  0.393295  0.478532  0.653951  1
  H  H51  1  0.974125  0.275543  0.669525  1
  H  H52  1  0.474125  0.275543  0.669525  1
  H  H53  1  0.052049  0.079851  0.684540  1
  H  H54  1  0.552049  0.079851  0.684540  1
  H  H55  1  0.137028  0.866442  0.700914  1
  H  H56  1  0.637028  0.866442  0.700914  1
  H  H57  1  0.208849  0.686074  0.714753  1
  H  H58  1  0.708849  0.686074  0.714753  1
