# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.26706307
_cell_length_b   17.27707096
_cell_length_c   45.91468117
_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   H168
_cell_volume   16077.2775372
_cell_formula_units_Z   84
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  0.111111  0.803179  0.335938  1
  H  H2  1  0.277778  0.879627  0.304688  1
  H  H3  1  0.111111  0.379627  0.304688  1
  H  H4  1  0.444444  0.803179  0.335938  1
  H  H5  1  0.611111  0.879627  0.304688  1
  H  H6  1  0.277778  0.303179  0.335938  1
  H  H7  1  0.444444  0.379627  0.304688  1
  H  H8  1  0.777778  0.803179  0.335938  1
  H  H9  1  0.944444  0.879627  0.304688  1
  H  H10  1  0.611111  0.303179  0.335938  1
  H  H11  1  0.777778  0.379627  0.304688  1
  H  H12  1  0.944444  0.303179  0.335938  1
  H  H13  1  0.055556  0.167851  0.289063  1
  H  H14  1  0.222222  0.091403  0.320313  1
  H  H15  1  0.055556  0.591403  0.320313  1
  H  H16  1  0.388889  0.167851  0.289063  1
  H  H17  1  0.555556  0.091403  0.320313  1
  H  H18  1  0.222222  0.667851  0.289063  1
  H  H19  1  0.388889  0.591403  0.320313  1
  H  H20  1  0.722222  0.167851  0.289063  1
  H  H21  1  0.888889  0.091403  0.320313  1
  H  H22  1  0.555556  0.667851  0.289063  1
  H  H23  1  0.722222  0.591403  0.320313  1
  H  H24  1  0.888889  0.667851  0.289063  1
  H  H25  1  0.111111  0.650282  0.398438  1
  H  H26  1  0.277778  0.726730  0.367188  1
  H  H27  1  0.111111  0.226730  0.367188  1
  H  H28  1  0.444444  0.650282  0.398438  1
  H  H29  1  0.611111  0.726730  0.367188  1
  H  H30  1  0.277778  0.150282  0.398438  1
  H  H31  1  0.444444  0.226730  0.367188  1
  H  H32  1  0.777778  0.650282  0.398438  1
  H  H33  1  0.944444  0.726730  0.367188  1
  H  H34  1  0.611111  0.150282  0.398438  1
  H  H35  1  0.777778  0.226730  0.367188  1
  H  H36  1  0.944444  0.150282  0.398438  1
  H  H37  1  0.055556  0.014955  0.351563  1
  H  H38  1  0.222222  0.938506  0.382813  1
  H  H39  1  0.055556  0.438506  0.382813  1
  H  H40  1  0.388889  0.014955  0.351563  1
  H  H41  1  0.555556  0.938506  0.382813  1
  H  H42  1  0.222222  0.514955  0.351563  1
  H  H43  1  0.388889  0.438506  0.382813  1
  H  H44  1  0.722222  0.014955  0.351563  1
  H  H45  1  0.888889  0.938506  0.382813  1
  H  H46  1  0.555556  0.514955  0.351563  1
  H  H47  1  0.722222  0.438506  0.382813  1
  H  H48  1  0.888889  0.514955  0.351563  1
  H  H49  1  0.111111  0.497385  0.460938  1
  H  H50  1  0.277778  0.573833  0.429688  1
  H  H51  1  0.111111  0.073833  0.429688  1
  H  H52  1  0.444444  0.497385  0.460938  1
  H  H53  1  0.611111  0.573833  0.429688  1
  H  H54  1  0.277778  0.997385  0.460938  1
  H  H55  1  0.444444  0.073833  0.429688  1
  H  H56  1  0.777778  0.497385  0.460938  1
  H  H57  1  0.944444  0.573833  0.429688  1
  H  H58  1  0.611111  0.997385  0.460938  1
  H  H59  1  0.777778  0.073833  0.429688  1
  H  H60  1  0.944444  0.997385  0.460938  1
  H  H61  1  0.055556  0.862058  0.414063  1
  H  H62  1  0.222222  0.785609  0.445313  1
  H  H63  1  0.055556  0.285609  0.445313  1
  H  H64  1  0.388889  0.862058  0.414063  1
  H  H65  1  0.555556  0.785609  0.445313  1
  H  H66  1  0.222222  0.362058  0.414063  1
  H  H67  1  0.388889  0.285609  0.445313  1
  H  H68  1  0.722222  0.862058  0.414063  1
  H  H69  1  0.888889  0.785609  0.445313  1
  H  H70  1  0.555556  0.362058  0.414063  1
  H  H71  1  0.722222  0.285609  0.445313  1
  H  H72  1  0.888889  0.362058  0.414063  1
  H  H73  1  0.111111  0.344488  0.523438  1
  H  H74  1  0.277778  0.420936  0.492188  1
  H  H75  1  0.111111  0.920936  0.492188  1
  H  H76  1  0.444444  0.344488  0.523438  1
  H  H77  1  0.611111  0.420936  0.492188  1
  H  H78  1  0.277778  0.844488  0.523438  1
  H  H79  1  0.444444  0.920936  0.492188  1
  H  H80  1  0.777778  0.344488  0.523438  1
  H  H81  1  0.944444  0.420936  0.492188  1
  H  H82  1  0.611111  0.844488  0.523438  1
  H  H83  1  0.777778  0.920936  0.492188  1
  H  H84  1  0.944444  0.844488  0.523438  1
  H  H85  1  0.055556  0.709161  0.476562  1
  H  H86  1  0.222222  0.632712  0.507813  1
  H  H87  1  0.055556  0.132712  0.507813  1
  H  H88  1  0.388889  0.709161  0.476562  1
  H  H89  1  0.555556  0.632712  0.507813  1
  H  H90  1  0.222222  0.209161  0.476562  1
  H  H91  1  0.388889  0.132712  0.507813  1
  H  H92  1  0.722222  0.709161  0.476562  1
  H  H93  1  0.888889  0.632712  0.507813  1
  H  H94  1  0.555556  0.209161  0.476562  1
  H  H95  1  0.722222  0.132712  0.507813  1
  H  H96  1  0.888889  0.209161  0.476562  1
  H  H97  1  0.111111  0.191591  0.585938  1
  H  H98  1  0.277778  0.268039  0.554688  1
  H  H99  1  0.111111  0.768039  0.554688  1
  H  H100  1  0.444444  0.191591  0.585938  1
  H  H101  1  0.611111  0.268039  0.554688  1
  H  H102  1  0.277778  0.691591  0.585938  1
  H  H103  1  0.444444  0.768039  0.554688  1
  H  H104  1  0.777778  0.191591  0.585938  1
  H  H105  1  0.944444  0.268039  0.554688  1
  H  H106  1  0.611111  0.691591  0.585938  1
  H  H107  1  0.777778  0.768039  0.554688  1
  H  H108  1  0.944444  0.691591  0.585938  1
  H  H109  1  0.055556  0.556264  0.539063  1
  H  H110  1  0.222222  0.479815  0.570313  1
  H  H111  1  0.055556  0.979815  0.570313  1
  H  H112  1  0.388889  0.556264  0.539063  1
  H  H113  1  0.555556  0.479815  0.570313  1
  H  H114  1  0.222222  0.056264  0.539063  1
  H  H115  1  0.388889  0.979815  0.570313  1
  H  H116  1  0.722222  0.556264  0.539063  1
  H  H117  1  0.888889  0.479815  0.570313  1
  H  H118  1  0.555556  0.056264  0.539063  1
  H  H119  1  0.722222  0.979815  0.570313  1
  H  H120  1  0.888889  0.056264  0.539063  1
  H  H121  1  0.111111  0.038694  0.648438  1
  H  H122  1  0.277778  0.115142  0.617188  1
  H  H123  1  0.111111  0.615142  0.617188  1
  H  H124  1  0.444444  0.038694  0.648438  1
  H  H125  1  0.611111  0.115142  0.617188  1
  H  H126  1  0.277778  0.538694  0.648438  1
  H  H127  1  0.444444  0.615142  0.617188  1
  H  H128  1  0.777778  0.038694  0.648438  1
  H  H129  1  0.944444  0.115142  0.617188  1
  H  H130  1  0.611111  0.538694  0.648438  1
  H  H131  1  0.777778  0.615142  0.617188  1
  H  H132  1  0.944444  0.538694  0.648438  1
  H  H133  1  0.055556  0.403367  0.601563  1
  H  H134  1  0.222222  0.326918  0.632813  1
  H  H135  1  0.055556  0.826918  0.632813  1
  H  H136  1  0.388889  0.403367  0.601563  1
  H  H137  1  0.555556  0.326918  0.632813  1
  H  H138  1  0.222222  0.903367  0.601563  1
  H  H139  1  0.388889  0.826918  0.632813  1
  H  H140  1  0.722222  0.403367  0.601563  1
  H  H141  1  0.888889  0.326918  0.632813  1
  H  H142  1  0.555556  0.903367  0.601563  1
  H  H143  1  0.722222  0.826918  0.632813  1
  H  H144  1  0.888889  0.903367  0.601563  1
  H  H145  1  0.111111  0.885797  0.710938  1
  H  H146  1  0.277778  0.962245  0.679688  1
  H  H147  1  0.111111  0.462245  0.679688  1
  H  H148  1  0.444444  0.885797  0.710938  1
  H  H149  1  0.611111  0.962245  0.679688  1
  H  H150  1  0.277778  0.385797  0.710938  1
  H  H151  1  0.444444  0.462245  0.679688  1
  H  H152  1  0.777778  0.885797  0.710938  1
  H  H153  1  0.944444  0.962245  0.679688  1
  H  H154  1  0.611111  0.385797  0.710938  1
  H  H155  1  0.777778  0.462245  0.679688  1
  H  H156  1  0.944444  0.385797  0.710938  1
  H  H157  1  0.055556  0.250470  0.664063  1
  H  H158  1  0.222222  0.174021  0.695313  1
  H  H159  1  0.055556  0.674021  0.695313  1
  H  H160  1  0.388889  0.250470  0.664063  1
  H  H161  1  0.555556  0.174021  0.695313  1
  H  H162  1  0.222222  0.750470  0.664063  1
  H  H163  1  0.388889  0.674021  0.695313  1
  H  H164  1  0.722222  0.250470  0.664063  1
  H  H165  1  0.888889  0.174021  0.695313  1
  H  H166  1  0.555556  0.750470  0.664063  1
  H  H167  1  0.722222  0.674021  0.695313  1
  H  H168  1  0.888889  0.750470  0.664063  1
