# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84157320
_cell_length_b   10.60072722
_cell_length_c   46.61651521
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   2392.55520264
_cell_formula_units_Z   48
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  0.500000  0.775305  0.292067  1
  H  H2  1  0.500000  0.341203  0.330528  1
  H  H3  1  0.500000  0.605236  0.338718  1
  H  H4  1  0.500000  0.039338  0.300257  1
  H  H5  1  0.500000  0.015023  0.315128  1
  H  H6  1  0.500000  0.449125  0.276666  1
  H  H7  1  0.500000  0.713158  0.284856  1
  H  H8  1  0.500000  0.279056  0.323318  1
  H  H9  1  0.000000  0.558254  0.311297  1
  H  H10  1  0.000000  0.992357  0.272836  1
  H  H11  1  0.000000  0.822287  0.319488  1
  H  H12  1  0.000000  0.256389  0.281026  1
  H  H13  1  0.000000  0.797972  0.334358  1
  H  H14  1  0.000000  0.232074  0.295897  1
  H  H15  1  0.000000  0.062004  0.342549  1
  H  H16  1  0.000000  0.496107  0.304087  1
  H  H17  1  0.500000  0.907101  0.368990  1
  H  H18  1  0.500000  0.472998  0.407451  1
  H  H19  1  0.500000  0.737031  0.415642  1
  H  H20  1  0.500000  0.171133  0.377180  1
  H  H21  1  0.500000  0.146818  0.392051  1
  H  H22  1  0.500000  0.580920  0.353589  1
  H  H23  1  0.500000  0.844953  0.361780  1
  H  H24  1  0.500000  0.410851  0.400241  1
  H  H25  1  0.000000  0.690049  0.388220  1
  H  H26  1  0.000000  0.124152  0.349759  1
  H  H27  1  0.000000  0.954082  0.396411  1
  H  H28  1  0.000000  0.388185  0.357949  1
  H  H29  1  0.000000  0.929767  0.411282  1
  H  H30  1  0.000000  0.363869  0.372820  1
  H  H31  1  0.000000  0.193800  0.419472  1
  H  H32  1  0.000000  0.627902  0.381010  1
  H  H33  1  0.500000  0.038896  0.445913  1
  H  H34  1  0.500000  0.604793  0.484374  1
  H  H35  1  0.500000  0.868826  0.492565  1
  H  H36  1  0.500000  0.302928  0.454103  1
  H  H37  1  0.500000  0.278613  0.468974  1
  H  H38  1  0.500000  0.712716  0.430512  1
  H  H39  1  0.500000  0.976748  0.438703  1
  H  H40  1  0.500000  0.542646  0.477164  1
  H  H41  1  0.000000  0.821844  0.465144  1
  H  H42  1  0.000000  0.255947  0.426682  1
  H  H43  1  0.000000  0.085877  0.473334  1
  H  H44  1  0.000000  0.519980  0.434872  1
  H  H45  1  0.000000  0.061562  0.488205  1
  H  H46  1  0.000000  0.495664  0.449743  1
  H  H47  1  0.000000  0.325595  0.496395  1
  H  H48  1  0.000000  0.759697  0.457933  1
  H  H49  1  0.500000  0.170691  0.522836  1
  H  H50  1  0.500000  0.736588  0.561297  1
  H  H51  1  0.500000  0.000621  0.569488  1
  H  H52  1  0.500000  0.434724  0.531026  1
  H  H53  1  0.500000  0.410408  0.545897  1
  H  H54  1  0.500000  0.844511  0.507435  1
  H  H55  1  0.500000  0.108543  0.515626  1
  H  H56  1  0.500000  0.674441  0.554087  1
  H  H57  1  0.000000  0.953640  0.542067  1
  H  H58  1  0.000000  0.387742  0.503605  1
  H  H59  1  0.000000  0.217672  0.550257  1
  H  H60  1  0.000000  0.651775  0.511795  1
  H  H61  1  0.000000  0.193357  0.565128  1
  H  H62  1  0.000000  0.627460  0.526666  1
  H  H63  1  0.000000  0.457390  0.573318  1
  H  H64  1  0.000000  0.891492  0.534856  1
  H  H65  1  0.500000  0.302486  0.599759  1
  H  H66  1  0.500000  0.868384  0.638220  1
  H  H67  1  0.500000  0.132416  0.646411  1
  H  H68  1  0.500000  0.566519  0.607949  1
  H  H69  1  0.500000  0.542203  0.622820  1
  H  H70  1  0.500000  0.976306  0.584358  1
  H  H71  1  0.500000  0.240339  0.592549  1
  H  H72  1  0.500000  0.806236  0.631010  1
  H  H73  1  0.000000  0.085435  0.618990  1
  H  H74  1  0.000000  0.519537  0.580528  1
  H  H75  1  0.000000  0.349467  0.627180  1
  H  H76  1  0.000000  0.783570  0.588718  1
  H  H77  1  0.000000  0.325152  0.642051  1
  H  H78  1  0.000000  0.759255  0.603589  1
  H  H79  1  0.000000  0.589185  0.650241  1
  H  H80  1  0.000000  0.023287  0.611780  1
  H  H81  1  0.500000  0.434281  0.676682  1
  H  H82  1  0.500000  0.000179  0.715144  1
  H  H83  1  0.500000  0.264211  0.723334  1
  H  H84  1  0.500000  0.698314  0.684872  1
  H  H85  1  0.500000  0.673999  0.699743  1
  H  H86  1  0.500000  0.108101  0.661282  1
  H  H87  1  0.500000  0.372134  0.669472  1
  H  H88  1  0.500000  0.938031  0.707933  1
  H  H89  1  0.000000  0.217230  0.695913  1
  H  H90  1  0.000000  0.651332  0.657451  1
  H  H91  1  0.000000  0.481263  0.704103  1
  H  H92  1  0.000000  0.915365  0.665642  1
  H  H93  1  0.000000  0.456947  0.718974  1
  H  H94  1  0.000000  0.891050  0.680512  1
  H  H95  1  0.000000  0.720980  0.727164  1
  H  H96  1  0.000000  0.155082  0.688703  1
