# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.32086902
_cell_length_b   6.74163138
_cell_length_c   65.94977304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.86274442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H48
_cell_volume   1015.77066568
_cell_formula_units_Z   24
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  0.713724  0.396739  0.138254  1
  H  H2  1  1.047058  0.730073  0.138254  1
  H  H3  1  0.380391  0.063406  0.138254  1
  H  H4  1  0.285815  0.260875  0.166549  1
  H  H5  1  0.619149  0.594208  0.166549  1
  H  H6  1  0.952482  0.927541  0.166549  1
  H  H7  1  0.853515  0.124001  0.194366  1
  H  H8  1  0.186849  0.457334  0.194366  1
  H  H9  1  0.520182  0.790668  0.194366  1
  H  H10  1  0.422924  0.987766  0.222316  1
  H  H11  1  0.756257  0.321100  0.222316  1
  H  H12  1  1.089591  0.654433  0.222316  1
  H  H13  1  0.991670  0.851230  0.250262  1
  H  H14  1  0.325004  0.184564  0.250262  1
  H  H15  1  0.658337  0.517897  0.250262  1
  H  H16  1  0.560735  0.714738  0.278209  1
  H  H17  1  0.894068  0.048071  0.278209  1
  H  H18  1  0.227401  0.381405  0.278209  1
  H  H19  1  1.129657  0.578239  0.306155  1
  H  H20  1  0.462990  0.911573  0.306155  1
  H  H21  1  0.796324  0.244906  0.306155  1
  H  H22  1  0.698644  0.441742  0.334102  1
  H  H23  1  1.031977  0.775075  0.334102  1
  H  H24  1  0.365310  0.108408  0.334102  1
  H  H25  1  0.267594  0.305244  0.362049  1
  H  H26  1  0.600927  0.638577  0.362049  1
  H  H27  1  0.934261  0.971911  0.362049  1
  H  H28  1  0.836581  0.168747  0.389995  1
  H  H29  1  0.169914  0.502080  0.389995  1
  H  H30  1  0.503247  0.835413  0.389995  1
  H  H31  1  0.405503  1.032248  0.417942  1
  H  H32  1  0.738836  0.365581  0.417942  1
  H  H33  1  1.072170  0.698914  0.417942  1
  H  H34  1  0.974567  0.895755  0.445888  1
  H  H35  1  0.307900  0.229089  0.445888  1
  H  H36  1  0.641234  0.562422  0.445888  1
  H  H37  1  0.543313  0.759219  0.473835  1
  H  H38  1  0.876647  0.092553  0.473835  1
  H  H39  1  0.209980  0.425886  0.473835  1
  H  H40  1  1.112722  0.622985  0.501784  1
  H  H41  1  0.446055  0.956318  0.501784  1
  H  H42  1  0.779389  0.289651  0.501784  1
  H  H43  1  0.680422  0.486111  0.529601  1
  H  H44  1  1.013756  0.819444  0.529601  1
  H  H45  1  0.347089  0.152778  0.529601  1
  H  H46  1  0.252513  0.350246  0.557897  1
  H  H47  1  0.585847  0.683580  0.557897  1
  H  H48  1  0.919180  1.016913  0.557897  1
