# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874692
_cell_length_b   10.41987799
_cell_length_c   46.49246374
_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   2392.5552002
_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  0.549794  0.751747  0.282941  1
  H  H2  1  0.549794  0.319952  0.321403  1
  H  H3  1  0.049794  0.839531  0.332443  1
  H  H4  1  0.049794  0.271326  0.293982  1
  H  H5  1  0.950206  0.819952  0.321403  1
  H  H6  1  0.950206  0.251747  0.282941  1
  H  H7  1  0.450206  0.771326  0.293982  1
  H  H8  1  0.450206  0.339531  0.332443  1
  H  H9  1  0.049794  0.104055  0.340634  1
  H  H10  1  0.049794  0.535850  0.302172  1
  H  H11  1  0.549794  0.055428  0.313213  1
  H  H12  1  0.549794  0.487223  0.274751  1
  H  H13  1  0.450206  0.035850  0.302172  1
  H  H14  1  0.450206  0.604055  0.340634  1
  H  H15  1  0.950206  0.987223  0.274751  1
  H  H16  1  0.950206  0.555428  0.313213  1
  H  H17  1  0.549794  0.888157  0.359864  1
  H  H18  1  0.549794  0.456362  0.398326  1
  H  H19  1  0.049794  0.975940  0.409366  1
  H  H20  1  0.049794  0.407736  0.370905  1
  H  H21  1  0.950206  0.956362  0.398326  1
  H  H22  1  0.950206  0.388157  0.359864  1
  H  H23  1  0.450206  0.907736  0.370905  1
  H  H24  1  0.450206  0.475940  0.409366  1
  H  H25  1  0.049794  0.240464  0.417557  1
  H  H26  1  0.049794  0.672260  0.379095  1
  H  H27  1  0.549794  0.191838  0.390136  1
  H  H28  1  0.549794  0.623633  0.351674  1
  H  H29  1  0.450206  0.172260  0.379095  1
  H  H30  1  0.450206  0.740464  0.417557  1
  H  H31  1  0.950206  0.123633  0.351674  1
  H  H32  1  0.950206  0.691838  0.390136  1
  H  H33  1  0.549794  0.024567  0.436787  1
  H  H34  1  0.549794  0.592772  0.475249  1
  H  H35  1  0.049794  0.112350  0.486289  1
  H  H36  1  0.049794  0.544145  0.447828  1
  H  H37  1  0.950206  0.092772  0.475249  1
  H  H38  1  0.950206  0.524567  0.436787  1
  H  H39  1  0.450206  0.044145  0.447828  1
  H  H40  1  0.450206  0.612350  0.486289  1
  H  H41  1  0.049794  0.376874  0.494480  1
  H  H42  1  0.049794  0.808669  0.456018  1
  H  H43  1  0.549794  0.328248  0.467059  1
  H  H44  1  0.549794  0.760043  0.428597  1
  H  H45  1  0.450206  0.308669  0.456018  1
  H  H46  1  0.450206  0.876874  0.494480  1
  H  H47  1  0.950206  0.260043  0.428597  1
  H  H48  1  0.950206  0.828248  0.467059  1
  H  H49  1  0.549794  0.160977  0.513711  1
  H  H50  1  0.549794  0.729182  0.552172  1
  H  H51  1  0.049794  0.248760  0.563213  1
  H  H52  1  0.049794  0.680555  0.524751  1
  H  H53  1  0.950206  0.229182  0.552172  1
  H  H54  1  0.950206  0.660977  0.513711  1
  H  H55  1  0.450206  0.180555  0.524751  1
  H  H56  1  0.450206  0.748760  0.563213  1
  H  H57  1  0.049794  0.513284  0.571403  1
  H  H58  1  0.049794  0.945079  0.532941  1
  H  H59  1  0.549794  0.464657  0.543982  1
  H  H60  1  0.549794  0.896453  0.505520  1
  H  H61  1  0.450206  0.445079  0.532941  1
  H  H62  1  0.450206  0.013284  0.571403  1
  H  H63  1  0.950206  0.396453  0.505520  1
  H  H64  1  0.950206  0.964657  0.543982  1
  H  H65  1  0.549794  0.297386  0.590634  1
  H  H66  1  0.549794  0.865591  0.629095  1
  H  H67  1  0.049794  0.385170  0.640136  1
  H  H68  1  0.049794  0.816965  0.601674  1
  H  H69  1  0.950206  0.365591  0.629095  1
  H  H70  1  0.950206  0.797386  0.590634  1
  H  H71  1  0.450206  0.316965  0.601674  1
  H  H72  1  0.450206  0.885170  0.640136  1
  H  H73  1  0.049794  0.649694  0.648326  1
  H  H74  1  0.049794  0.081489  0.609864  1
  H  H75  1  0.549794  0.601067  0.620905  1
  H  H76  1  0.549794  0.032862  0.582443  1
  H  H77  1  0.450206  0.581489  0.609864  1
  H  H78  1  0.450206  0.149694  0.648326  1
  H  H79  1  0.950206  0.532862  0.582443  1
  H  H80  1  0.950206  0.101067  0.620905  1
  H  H81  1  0.549794  0.433796  0.667557  1
  H  H82  1  0.549794  0.002001  0.706018  1
  H  H83  1  0.049794  0.521579  0.717059  1
  H  H84  1  0.049794  0.953375  0.678597  1
  H  H85  1  0.950206  0.502001  0.706018  1
  H  H86  1  0.950206  0.933796  0.667557  1
  H  H87  1  0.450206  0.453375  0.678597  1
  H  H88  1  0.450206  0.021579  0.717059  1
  H  H89  1  0.049794  0.786103  0.725249  1
  H  H90  1  0.049794  0.217899  0.686787  1
  H  H91  1  0.549794  0.737477  0.697828  1
  H  H92  1  0.549794  0.169272  0.659366  1
  H  H93  1  0.450206  0.717899  0.686787  1
  H  H94  1  0.450206  0.286103  0.725249  1
  H  H95  1  0.950206  0.669272  0.659366  1
  H  H96  1  0.950206  0.237477  0.697828  1
