# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.78492214
_cell_length_b   18.78492214
_cell_length_c   49.28081365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   16546.2290366
_cell_formula_units_Z   54
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  0.800654  0.133987  0.348291  1
  H  H2  1  0.251634  0.918301  0.271368  1
  H  H3  1  0.173203  0.173203  0.322650  1
  H  H4  1  0.545752  0.212418  0.297009  1
  H  H5  1  0.879085  0.879085  0.297009  1
  H  H6  1  0.212418  0.545752  0.297009  1
  H  H7  1  0.584967  0.584967  0.271368  1
  H  H8  1  0.506536  0.839869  0.322650  1
  H  H9  1  0.839869  0.506536  0.322650  1
  H  H10  1  0.065359  0.398693  0.284188  1
  H  H11  1  0.398693  0.065359  0.284188  1
  H  H12  1  0.320261  0.320261  0.335470  1
  H  H13  1  0.692810  0.359477  0.309829  1
  H  H14  1  0.026144  0.026144  0.309829  1
  H  H15  1  0.359477  0.692810  0.309829  1
  H  H16  1  0.732026  0.732026  0.284188  1
  H  H17  1  0.653595  0.986928  0.335470  1
  H  H18  1  0.986928  0.653595  0.335470  1
  H  H19  1  0.683007  0.016340  0.425214  1
  H  H20  1  0.133987  0.800654  0.348291  1
  H  H21  1  0.055556  0.055556  0.399573  1
  H  H22  1  0.428105  0.094771  0.373932  1
  H  H23  1  0.761438  0.761438  0.373932  1
  H  H24  1  0.094771  0.428105  0.373932  1
  H  H25  1  0.467320  0.467320  0.348291  1
  H  H26  1  0.388889  0.722222  0.399573  1
  H  H27  1  0.722222  0.388889  0.399573  1
  H  H28  1  0.947712  0.281046  0.361111  1
  H  H29  1  0.281046  0.947712  0.361111  1
  H  H30  1  0.202614  0.202614  0.412393  1
  H  H31  1  0.575163  0.241830  0.386752  1
  H  H32  1  0.908497  0.908497  0.386752  1
  H  H33  1  0.241830  0.575163  0.386752  1
  H  H34  1  0.614379  0.614379  0.361111  1
  H  H35  1  0.535948  0.869281  0.412393  1
  H  H36  1  0.869281  0.535948  0.412393  1
  H  H37  1  0.565359  0.898693  0.502137  1
  H  H38  1  0.016340  0.683007  0.425214  1
  H  H39  1  0.937908  0.937908  0.476496  1
  H  H40  1  0.310458  0.977124  0.450855  1
  H  H41  1  0.643791  0.643791  0.450855  1
  H  H42  1  0.977124  0.310458  0.450855  1
  H  H43  1  0.349673  0.349673  0.425214  1
  H  H44  1  0.271242  0.604575  0.476496  1
  H  H45  1  0.604575  0.271242  0.476496  1
  H  H46  1  0.830065  0.163399  0.438034  1
  H  H47  1  0.163399  0.830065  0.438034  1
  H  H48  1  0.084967  0.084967  0.489316  1
  H  H49  1  0.457516  0.124183  0.463675  1
  H  H50  1  0.790850  0.790850  0.463675  1
  H  H51  1  0.124183  0.457516  0.463675  1
  H  H52  1  0.496732  0.496732  0.438034  1
  H  H53  1  0.418301  0.751634  0.489316  1
  H  H54  1  0.751634  0.418301  0.489316  1
  H  H55  1  0.447712  0.781046  0.579060  1
  H  H56  1  0.898693  0.565359  0.502137  1
  H  H57  1  0.820261  0.820261  0.553419  1
  H  H58  1  0.192810  0.859477  0.527778  1
  H  H59  1  0.526144  0.526144  0.527778  1
  H  H60  1  0.859477  0.192810  0.527778  1
  H  H61  1  0.232026  0.232026  0.502137  1
  H  H62  1  0.153595  0.486928  0.553419  1
  H  H63  1  0.486928  0.153595  0.553419  1
  H  H64  1  0.712418  0.045752  0.514957  1
  H  H65  1  0.045752  0.712418  0.514957  1
  H  H66  1  0.967320  0.967320  0.566239  1
  H  H67  1  0.339869  0.006536  0.540598  1
  H  H68  1  0.673203  0.673203  0.540598  1
  H  H69  1  0.006536  0.339869  0.540598  1
  H  H70  1  0.379085  0.379085  0.514957  1
  H  H71  1  0.300654  0.633987  0.566239  1
  H  H72  1  0.633987  0.300654  0.566239  1
  H  H73  1  0.330065  0.663399  0.655983  1
  H  H74  1  0.781046  0.447712  0.579060  1
  H  H75  1  0.702614  0.702614  0.630342  1
  H  H76  1  0.075163  0.741830  0.604701  1
  H  H77  1  0.408497  0.408497  0.604701  1
  H  H78  1  0.741830  0.075163  0.604701  1
  H  H79  1  0.114379  0.114379  0.579060  1
  H  H80  1  0.035948  0.369281  0.630342  1
  H  H81  1  0.369281  0.035948  0.630342  1
  H  H82  1  0.594771  0.928105  0.591880  1
  H  H83  1  0.928105  0.594771  0.591880  1
  H  H84  1  0.849673  0.849673  0.643162  1
  H  H85  1  0.222222  0.888889  0.617521  1
  H  H86  1  0.555556  0.555556  0.617521  1
  H  H87  1  0.888889  0.222222  0.617521  1
  H  H88  1  0.261438  0.261438  0.591880  1
  H  H89  1  0.183007  0.516340  0.643162  1
  H  H90  1  0.516340  0.183007  0.643162  1
  H  H91  1  0.212418  0.545752  0.732906  1
  H  H92  1  0.663399  0.330065  0.655983  1
  H  H93  1  0.584967  0.584967  0.707265  1
  H  H94  1  0.957516  0.624183  0.681624  1
  H  H95  1  0.290850  0.290850  0.681624  1
  H  H96  1  0.624183  0.957516  0.681624  1
  H  H97  1  0.996732  0.996732  0.655983  1
  H  H98  1  0.918301  0.251634  0.707265  1
  H  H99  1  0.251634  0.918301  0.707265  1
  H  H100  1  0.477124  0.810458  0.668803  1
  H  H101  1  0.810458  0.477124  0.668803  1
  H  H102  1  0.732026  0.732026  0.720085  1
  H  H103  1  0.104575  0.771242  0.694444  1
  H  H104  1  0.437908  0.437908  0.694444  1
  H  H105  1  0.771242  0.104575  0.694444  1
  H  H106  1  0.143791  0.143791  0.668803  1
  H  H107  1  0.065359  0.398693  0.720085  1
  H  H108  1  0.398693  0.065359  0.720085  1
