# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18407792
_cell_length_b   6.18991607
_cell_length_c   35.53908368
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.19038123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2240.32126902
_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  -0.058764  0.198005  0.456262  1
  H  H2  1  0.441236  0.198005  0.456262  1
  H  H3  1  0.292051  0.926548  0.440704  1
  H  H4  1  -0.138774  0.558305  0.448524  1
  H  H5  1  0.792051  0.926548  0.440704  1
  H  H6  1  0.361226  0.558305  0.448524  1
  H  H7  1  0.153508  1.097531  0.480856  1
  H  H8  1  0.653508  1.097531  0.480856  1
  H  H9  1  0.517094  0.828510  0.462591  1
  H  H10  1  0.090820  0.462768  0.469853  1
  H  H11  1  0.017094  0.828510  0.462591  1
  H  H12  1  0.590820  0.462768  0.469853  1
  H  H13  1  0.366711  0.978433  0.505055  1
  H  H14  1  -0.133289  0.978433  0.505055  1
  H  H15  1  0.722790  0.722351  0.490975  1
  H  H16  1  0.294689  0.348790  0.498195  1
  H  H17  1  0.222790  0.722351  0.490975  1
  H  H18  1  0.794689  0.348790  0.498195  1
  H  H19  1  0.573343  0.872164  0.529147  1
  H  H20  1  0.073343  0.872164  0.529147  1
  H  H21  1  -0.062397  0.609312  0.512040  1
  H  H22  1  0.504746  0.242665  0.520816  1
  H  H23  1  0.437603  0.609312  0.512040  1
  H  H24  1  0.004746  0.242665  0.520816  1
  H  H25  1  0.786590  0.756000  0.553396  1
  H  H26  1  0.286590  0.756000  0.553396  1
  H  H27  1  0.144496  0.497986  0.537249  1
  H  H28  1  0.715710  1.126078  0.545311  1
  H  H29  1  0.644496  0.497986  0.537249  1
  H  H30  1  0.215710  1.126078  0.545311  1
  H  H31  1  -0.004597  0.646381  0.577097  1
  H  H32  1  0.495403  0.646381  0.577097  1
  H  H33  1  0.355440  0.387454  0.561273  1
  H  H34  1  -0.075049  1.017711  0.569274  1
  H  H35  1  -0.144560  0.387454  0.561273  1
  H  H36  1  0.424951  1.017711  0.569274  1
  H  H37  1  0.205393  0.534271  0.601500  1
  H  H38  1  0.705393  0.534271  0.601500  1
  H  H39  1  0.565519  0.275272  0.585293  1
  H  H40  1  0.135600  0.904449  0.593340  1
  H  H41  1  0.065519  0.275272  0.585293  1
  H  H42  1  0.635600  0.904449  0.593340  1
  H  H43  1  0.415710  0.422968  0.625536  1
  H  H44  1  -0.084290  0.422968  0.625536  1
  H  H45  1  0.775398  0.164114  0.609604  1
  H  H46  1  0.345742  0.793333  0.617585  1
  H  H47  1  0.275398  0.164114  0.609604  1
  H  H48  1  -0.154258  0.793333  0.617585  1
  H  H49  1  0.625603  0.311302  0.649757  1
  H  H50  1  0.125603  0.311302  0.649757  1
  H  H51  1  -0.014310  1.052292  0.633588  1
  H  H52  1  0.555615  0.681859  0.641649  1
  H  H53  1  0.485690  1.052292  0.633588  1
  H  H54  1  0.055615  0.681859  0.641649  1
  H  H55  1  -0.164249  0.199523  0.673918  1
  H  H56  1  0.335751  0.199523  0.673918  1
  H  H57  1  0.195837  0.940512  0.657748  1
  H  H58  1  0.765826  0.569956  0.665856  1
  H  H59  1  0.695837  0.940512  0.657748  1
  H  H60  1  0.265826  0.569956  0.665856  1
  H  H61  1  0.046043  1.087700  0.697902  1
  H  H62  1  0.546043  1.087700  0.697902  1
  H  H63  1  0.405731  0.828846  0.681969  1
  H  H64  1  -0.024301  0.458481  0.689921  1
  H  H65  1  -0.094269  0.828846  0.681969  1
  H  H66  1  0.475699  0.458481  0.689921  1
  H  H67  1  0.255922  0.976542  0.722213  1
  H  H68  1  0.755922  0.976542  0.722213  1
  H  H69  1  0.616048  0.717544  0.706006  1
  H  H70  1  0.185841  0.347365  0.714166  1
  H  H71  1  0.116048  0.717544  0.706006  1
  H  H72  1  0.685841  0.347365  0.714166  1
  H  H73  1  0.466000  0.864360  0.746233  1
  H  H74  1  -0.034000  0.864360  0.746233  1
  H  H75  1  -0.173962  0.605433  0.730408  1
  H  H76  1  0.396489  0.234103  0.738232  1
  H  H77  1  0.326038  0.605433  0.730408  1
  H  H78  1  -0.103511  0.234103  0.738232  1
  H  H79  1  0.676944  0.753828  0.770257  1
  H  H80  1  0.176944  0.753828  0.770257  1
  H  H81  1  0.034851  0.495815  0.754110  1
  H  H82  1  0.605731  1.125736  0.762195  1
  H  H83  1  0.534851  0.495815  0.754110  1
  H  H84  1  0.105731  1.125736  0.762195  1
  H  H85  1  -0.116162  0.642503  0.795465  1
  H  H86  1  0.383838  0.642503  0.795465  1
  H  H87  1  0.248098  0.379651  0.778358  1
  H  H88  1  -0.183306  1.009149  0.786689  1
  H  H89  1  0.748098  0.379651  0.778358  1
  H  H90  1  0.316694  1.009149  0.786689  1
  H  H91  1  0.098651  0.529464  0.816531  1
  H  H92  1  0.598651  0.529464  0.816531  1
  H  H93  1  0.454730  0.273382  0.802450  1
  H  H94  1  0.026752  0.903025  0.809311  1
  H  H95  1  -0.045270  0.273382  0.802450  1
  H  H96  1  0.526752  0.903025  0.809311  1
  H  H97  1  0.304346  0.423305  0.844914  1
  H  H98  1  -0.195654  0.423305  0.844914  1
  H  H99  1  0.667933  0.154283  0.826650  1
  H  H100  1  0.230621  0.789046  0.837653  1
  H  H101  1  0.167933  0.154283  0.826650  1
  H  H102  1  0.730621  0.789046  0.837653  1
  H  H103  1  0.529390  0.325266  0.866802  1
  H  H104  1  0.029390  0.325266  0.866802  1
  H  H105  1  -0.119795  1.053809  0.851244  1
  H  H106  1  0.460215  0.693510  0.858981  1
  H  H107  1  0.380205  1.053809  0.851244  1
  H  H108  1  -0.039785  0.693510  0.858981  1
