# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27787954
_cell_length_b   11.72610917
_cell_length_c   48.69153557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.60907018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1294.35598363
_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  0.203923  0.896153  0.271123  1
  H  H2  1  0.364516  0.217571  0.284513  1
  H  H3  1  0.043450  0.575350  0.257770  1
  H  H4  1  0.778360  0.045162  0.294495  1
  H  H5  1  0.455243  0.399168  0.266831  1
  H  H6  1  0.617382  0.723145  0.281056  1
  H  H7  1  0.688338  0.865124  0.313623  1
  H  H8  1  0.849945  0.188519  0.326942  1
  H  H9  1  0.526545  0.541602  0.299836  1
  H  H10  1  0.263261  0.015068  0.336253  1
  H  H11  1  0.939809  0.368236  0.308718  1
  H  H12  1  0.101543  0.691584  0.322567  1
  H  H13  1  0.172941  0.834439  0.354955  1
  H  H14  1  0.334381  0.157420  0.368610  1
  H  H15  1  0.011224  0.511042  0.341113  1
  H  H16  1  0.747708  0.984041  0.377913  1
  H  H17  1  0.424523  0.337680  0.350205  1
  H  H18  1  0.586129  0.660853  0.364129  1
  H  H19  1  0.657470  0.803586  0.396540  1
  H  H20  1  0.818956  0.126615  0.410326  1
  H  H21  1  0.495852  0.480360  0.382680  1
  H  H22  1  0.232246  0.953188  0.419601  1
  H  H23  1  0.909111  0.306900  0.391844  1
  H  H24  1  0.070686  0.630045  0.405770  1
  H  H25  1  0.142018  0.772763  0.438173  1
  H  H26  1  0.303526  0.095815  0.452017  1
  H  H27  1  0.980435  0.449591  0.424302  1
  H  H28  1  0.716800  0.922366  0.461271  1
  H  H29  1  0.393705  0.276144  0.433512  1
  H  H30  1  0.555244  0.599235  0.447414  1
  H  H31  1  0.626574  0.741949  0.479817  1
  H  H32  1  0.788096  0.065019  0.493694  1
  H  H33  1  0.465012  0.418813  0.465948  1
  H  H34  1  0.201366  0.891565  0.502929  1
  H  H35  1  0.878281  0.245360  0.475183  1
  H  H36  1  0.039804  0.568429  0.489060  1
  H  H37  1  0.111134  0.711143  0.521463  1
  H  H38  1  0.272673  0.034234  0.535365  1
  H  H39  1  0.949578  0.388013  0.507606  1
  H  H40  1  0.685943  0.860787  0.544575  1
  H  H41  1  0.362852  0.214563  0.516860  1
  H  H42  1  0.524359  0.537615  0.530704  1
  H  H43  1  0.595692  0.680333  0.563107  1
  H  H44  1  0.757267  0.003478  0.577033  1
  H  H45  1  0.434132  0.357191  0.549276  1
  H  H46  1  0.170526  0.830018  0.586197  1
  H  H47  1  0.847422  0.183763  0.558551  1
  H  H48  1  0.008908  0.506793  0.572337  1
  H  H49  1  0.080249  0.649526  0.604748  1
  H  H50  1  0.241854  0.972698  0.618672  1
  H  H51  1  0.918670  0.326337  0.590964  1
  H  H52  1  0.655154  0.799337  0.627764  1
  H  H53  1  0.331997  0.152959  0.600267  1
  H  H54  1  0.493437  0.475940  0.613922  1
  H  H55  1  0.564835  0.618794  0.646310  1
  H  H56  1  0.726569  0.942142  0.660159  1
  H  H57  1  0.403117  0.295310  0.632624  1
  H  H58  1  0.139833  0.768776  0.669041  1
  H  H59  1  0.816432  0.121860  0.641935  1
  H  H60  1  0.978040  0.445254  0.655254  1
  H  H61  1  0.048996  0.587234  0.687821  1
  H  H62  1  0.211134  0.911210  0.702046  1
  H  H63  1  0.888018  0.265217  0.674382  1
  H  H64  1  0.622928  0.735028  0.711107  1
  H  H65  1  0.301862  0.092807  0.684364  1
  H  H66  1  0.462455  0.414226  0.697754  1
