# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29448484
_cell_length_b   5.89120327
_cell_length_c   63.96913157
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.70921333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H42
_cell_volume   856.873080378
_cell_formula_units_Z   21
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  0.240729  0.567879  0.161285  1
  H  H2  1  0.567629  0.261095  0.144607  1
  H  H3  1  0.893355  0.910142  0.152602  1
  H  H4  1  0.712827  0.515802  0.193140  1
  H  H5  1  1.028889  0.206532  0.176753  1
  H  H6  1  0.368053  0.862000  0.184893  1
  H  H7  1  0.180559  0.463388  0.225017  1
  H  H8  1  0.491066  0.154794  0.208408  1
  H  H9  1  0.834571  0.808905  0.216670  1
  H  H10  1  0.646804  0.410930  0.256917  1
  H  H11  1  0.954818  0.102184  0.240224  1
  H  H12  1  0.300458  0.756531  0.248553  1
  H  H13  1  1.112648  0.358579  0.288810  1
  H  H14  1  0.419878  0.049835  0.272084  1
  H  H15  1  0.766141  0.704193  0.280439  1
  H  H16  1  0.578345  0.306269  0.320698  1
  H  H17  1  0.885274  0.997526  0.303957  1
  H  H18  1  0.231766  0.651893  0.312324  1
  H  H19  1  1.043972  0.253979  0.352583  1
  H  H20  1  0.350795  0.945237  0.335837  1
  H  H21  1  0.697373  0.599607  0.344209  1
  H  H22  1  0.509553  0.201694  0.384466  1
  H  H23  1  0.816376  0.892952  0.367720  1
  H  H24  1  1.162976  0.547325  0.376094  1
  H  H25  1  0.975074  0.149405  0.416346  1
  H  H26  1  0.282004  0.840662  0.399606  1
  H  H27  1  0.628583  0.495038  0.407979  1
  H  H28  1  0.440470  0.097096  0.448220  1
  H  H29  1  0.747700  0.788352  0.431493  1
  H  H30  1  1.094208  0.442738  0.439865  1
  H  H31  1  0.905530  0.044747  0.480080  1
  H  H32  1  0.213544  0.736001  0.463386  1
  H  H33  1  0.559890  0.390400  0.471751  1
  H  H34  1  0.369282  0.992137  0.511896  1
  H  H35  1  0.679790  0.683543  0.495287  1
  H  H36  1  1.025778  0.338026  0.503634  1
  H  H37  1  0.831460  0.940399  0.543550  1
  H  H38  1  1.147522  0.631129  0.527163  1
  H  H39  1  0.492295  0.284931  0.535411  1
  H  H40  1  0.292719  0.885836  0.575697  1
  H  H41  1  0.619619  0.579052  0.559019  1
  H  H42  1  0.966994  0.236789  0.567702  1
