# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75568769
_cell_length_b   19.46192124
_cell_length_c   46.56185981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.99496793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   6028.97907658
_cell_formula_units_Z   33
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  0.506725  0.180117  0.281250  1
  H  H2  1  0.671666  0.509999  0.295139  1
  H  H3  1  0.836607  0.839881  0.309028  1
  H  H4  1  0.090921  0.015175  0.274306  1
  H  H5  1  0.255862  0.345058  0.288194  1
  H  H6  1  0.420803  0.674940  0.302083  1
  H  H7  1  0.001548  0.169764  0.322917  1
  H  H8  1  0.166490  0.499646  0.336806  1
  H  H9  1  0.331431  0.829528  0.350694  1
  H  H10  1  0.585745  0.004822  0.315972  1
  H  H11  1  0.750686  0.334705  0.329861  1
  H  H12  1  0.915627  0.664587  0.343750  1
  H  H13  1  0.496372  0.159410  0.364583  1
  H  H14  1  0.661313  0.489293  0.378472  1
  H  H15  1  0.826254  0.819175  0.392361  1
  H  H16  1  0.080568  0.994469  0.357639  1
  H  H17  1  0.245509  0.324352  0.371528  1
  H  H18  1  0.410450  0.654234  0.385417  1
  H  H19  1  0.991195  0.149057  0.406250  1
  H  H20  1  0.156136  0.478940  0.420139  1
  H  H21  1  0.321078  0.808822  0.434028  1
  H  H22  1  0.575391  0.984116  0.399306  1
  H  H23  1  0.740333  0.313998  0.413194  1
  H  H24  1  0.905274  0.643881  0.427083  1
  H  H25  1  0.486019  0.138704  0.447917  1
  H  H26  1  0.650960  0.468587  0.461806  1
  H  H27  1  0.815901  0.798469  0.475694  1
  H  H28  1  0.070215  0.973763  0.440972  1
  H  H29  1  0.235156  0.303645  0.454861  1
  H  H30  1  0.400097  0.633528  0.468750  1
  H  H31  1  0.980842  0.128351  0.489583  1
  H  H32  1  0.145783  0.458233  0.503472  1
  H  H33  1  0.310725  0.788116  0.517361  1
  H  H34  1  0.565038  0.963410  0.482639  1
  H  H35  1  0.729979  0.293292  0.496528  1
  H  H36  1  0.894921  0.623175  0.510417  1
  H  H37  1  0.475666  0.117998  0.531250  1
  H  H38  1  0.640607  0.447880  0.545139  1
  H  H39  1  0.805548  0.777763  0.559028  1
  H  H40  1  0.059862  0.953057  0.524306  1
  H  H41  1  0.224803  0.282939  0.538194  1
  H  H42  1  0.389744  0.612822  0.552083  1
  H  H43  1  0.970489  0.107645  0.572917  1
  H  H44  1  0.135430  0.437527  0.586806  1
  H  H45  1  0.300371  0.767410  0.600694  1
  H  H46  1  0.554685  0.942704  0.565972  1
  H  H47  1  0.719626  0.272586  0.579861  1
  H  H48  1  0.884568  0.602468  0.593750  1
  H  H49  1  0.465313  0.097292  0.614583  1
  H  H50  1  0.630254  0.427174  0.628472  1
  H  H51  1  0.795195  0.757056  0.642361  1
  H  H52  1  0.049509  0.932351  0.607639  1
  H  H53  1  0.214450  0.262233  0.621528  1
  H  H54  1  0.379391  0.592115  0.635417  1
  H  H55  1  0.960136  0.086939  0.656250  1
  H  H56  1  0.125077  0.416821  0.670139  1
  H  H57  1  0.290018  0.746703  0.684028  1
  H  H58  1  0.544332  0.921998  0.649306  1
  H  H59  1  0.709273  0.251880  0.663194  1
  H  H60  1  0.874214  0.581762  0.677083  1
  H  H61  1  0.454960  0.076586  0.697917  1
  H  H62  1  0.619901  0.406468  0.711806  1
  H  H63  1  0.784842  0.736350  0.725694  1
  H  H64  1  0.039156  0.911645  0.690972  1
  H  H65  1  0.204097  0.241527  0.704861  1
  H  H66  1  0.369038  0.571409  0.718750  1
