# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27998213
_cell_length_b   11.74457301
_cell_length_c   48.77900807
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.60936352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H66
_cell_volume   1299.92111487
_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  0.204289  0.896124  0.271028  1
  H  H2  1  0.364882  0.217546  0.284414  1
  H  H3  1  0.043805  0.575325  0.257677  1
  H  H4  1  0.778711  0.045114  0.294423  1
  H  H5  1  0.455579  0.399141  0.266771  1
  H  H6  1  0.617731  0.723097  0.280989  1
  H  H7  1  0.688701  0.865103  0.313519  1
  H  H8  1  0.850303  0.188497  0.326835  1
  H  H9  1  0.526902  0.541582  0.299736  1
  H  H10  1  0.263606  0.015022  0.336181  1
  H  H11  1  0.940141  0.368182  0.308649  1
  H  H12  1  0.101886  0.691537  0.322498  1
  H  H13  1  0.173297  0.834417  0.354848  1
  H  H14  1  0.334733  0.157398  0.368501  1
  H  H15  1  0.011577  0.511017  0.341009  1
  H  H16  1  0.748044  0.983991  0.377842  1
  H  H17  1  0.424858  0.337629  0.350136  1
  H  H18  1  0.586466  0.660802  0.364061  1
  H  H19  1  0.657820  0.803561  0.396433  1
  H  H20  1  0.819302  0.126590  0.410217  1
  H  H21  1  0.496201  0.480335  0.382574  1
  H  H22  1  0.232575  0.953135  0.419530  1
  H  H23  1  0.909441  0.306847  0.391775  1
  H  H24  1  0.071016  0.629991  0.405701  1
  H  H25  1  0.142362  0.772737  0.438065  1
  H  H26  1  0.303867  0.095788  0.451909  1
  H  H27  1  0.980779  0.449564  0.424196  1
  H  H28  1  0.717124  0.922311  0.461201  1
  H  H29  1  0.394031  0.276089  0.433443  1
  H  H30  1  0.555568  0.599179  0.447344  1
  H  H31  1  0.626912  0.741921  0.479709  1
  H  H32  1  0.788433  0.064990  0.493586  1
  H  H33  1  0.465350  0.418784  0.465841  1
  H  H34  1  0.201684  0.891509  0.502859  1
  H  H35  1  0.878602  0.245303  0.475114  1
  H  H36  1  0.040123  0.568372  0.488990  1
  H  H37  1  0.111467  0.711113  0.521355  1
  H  H38  1  0.273004  0.034204  0.535257  1
  H  H39  1  0.949911  0.387982  0.507499  1
  H  H40  1  0.686256  0.860729  0.544504  1
  H  H41  1  0.363168  0.214504  0.516791  1
  H  H42  1  0.524673  0.537556  0.530634  1
  H  H43  1  0.596019  0.680301  0.562998  1
  H  H44  1  0.757594  0.003446  0.576925  1
  H  H45  1  0.434460  0.357158  0.549169  1
  H  H46  1  0.170834  0.829958  0.586125  1
  H  H47  1  0.847733  0.183703  0.558482  1
  H  H48  1  0.009215  0.506732  0.572266  1
  H  H49  1  0.080569  0.649491  0.604638  1
  H  H50  1  0.242177  0.972664  0.618563  1
  H  H51  1  0.918991  0.326301  0.590858  1
  H  H52  1  0.655458  0.799276  0.627691  1
  H  H53  1  0.332302  0.152895  0.600198  1
  H  H54  1  0.493738  0.475876  0.613852  1
  H  H55  1  0.565149  0.618756  0.646201  1
  H  H56  1  0.726894  0.942111  0.660051  1
  H  H57  1  0.403429  0.295270  0.632519  1
  H  H58  1  0.140133  0.768711  0.668964  1
  H  H59  1  0.816732  0.121796  0.641864  1
  H  H60  1  0.978334  0.445190  0.655181  1
  H  H61  1  0.049304  0.587196  0.687711  1
  H  H62  1  0.211456  0.911151  0.701928  1
  H  H63  1  0.888324  0.265179  0.674276  1
  H  H64  1  0.623230  0.734968  0.711023  1
  H  H65  1  0.302153  0.092746  0.684286  1
  H  H66  1  0.462746  0.414169  0.697671  1
