# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19889443
_cell_length_b   10.21114452
_cell_length_c   52.44604380
_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   H84
_cell_volume   1713.11715345
_cell_formula_units_Z   42
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  0.008561  0.247745  0.267248  1
  H  H2  1  0.008561  0.834521  0.309633  1
  H  H3  1  0.008561  0.539589  0.288756  1
  H  H4  1  0.508561  0.091899  0.257055  1
  H  H5  1  0.508561  0.687476  0.299140  1
  H  H6  1  0.508561  0.392605  0.278169  1
  H  H7  1  0.508561  0.187476  0.299140  1
  H  H8  1  0.508561  0.892605  0.278169  1
  H  H9  1  0.508561  0.591899  0.257055  1
  H  H10  1  0.008561  0.039589  0.288756  1
  H  H11  1  0.008561  0.747745  0.267248  1
  H  H12  1  1.008561  0.334521  0.309633  1
  H  H13  1  0.008561  0.129608  0.330221  1
  H  H14  1  0.008561  0.719574  0.371879  1
  H  H15  1  1.008561  0.424682  0.351067  1
  H  H16  1  0.508561  0.982123  0.319857  1
  H  H17  1  0.508561  0.572119  0.361457  1
  H  H18  1  0.508561  0.277097  0.340667  1
  H  H19  1  0.508561  0.072119  0.361457  1
  H  H20  1  0.508561  0.777097  0.340667  1
  H  H21  1  0.508561  0.482123  0.319857  1
  H  H22  1  0.008561  0.924682  0.351067  1
  H  H23  1  0.008561  0.629608  0.330221  1
  H  H24  1  0.008561  0.219574  0.371879  1
  H  H25  1  0.008561  0.014519  0.392716  1
  H  H26  1  1.008561  0.604362  0.434381  1
  H  H27  1  0.008561  0.309436  0.413548  1
  H  H28  1  0.508561  0.867056  0.382302  1
  H  H29  1  0.508561  0.456901  0.423966  1
  H  H30  1  0.508561  0.161973  0.403129  1
  H  H31  1  0.508561  0.956901  0.423966  1
  H  H32  1  0.508561  0.661973  0.403129  1
  H  H33  1  0.508561  0.367056  0.382302  1
  H  H34  1  1.008561  0.809436  0.413548  1
  H  H35  1  0.008561  0.514519  0.392716  1
  H  H36  1  1.008561  0.104362  0.434381  1
  H  H37  1  1.008561  0.899286  0.455214  1
  H  H38  1  1.008561  0.489135  0.496879  1
  H  H39  1  1.008561  0.194209  0.476046  1
  H  H40  1  0.508561  0.751823  0.444797  1
  H  H41  1  0.508561  0.341672  0.486462  1
  H  H42  1  0.508561  0.046748  0.465630  1
  H  H43  1  0.508561  0.841672  0.486462  1
  H  H44  1  0.508561  0.546748  0.465630  1
  H  H45  1  0.508561  0.251823  0.444797  1
  H  H46  1  1.008561  0.694209  0.476046  1
  H  H47  1  1.008561  0.399286  0.455214  1
  H  H48  1  1.008561  0.989135  0.496879  1
  H  H49  1  1.008561  0.784057  0.517710  1
  H  H50  1  1.008561  0.373902  0.559373  1
  H  H51  1  1.008561  0.078984  0.538547  1
  H  H52  1  0.508561  0.636595  0.507295  1
  H  H53  1  0.508561  0.226438  0.548960  1
  H  H54  1  0.508561  0.931521  0.528128  1
  H  H55  1  0.508561  0.726438  0.548960  1
  H  H56  1  0.508561  0.431521  0.528128  1
  H  H57  1  0.508561  0.136595  0.507295  1
  H  H58  1  1.008561  0.578984  0.538547  1
  H  H59  1  1.008561  0.284057  0.517710  1
  H  H60  1  1.008561  0.873902  0.559373  1
  H  H61  1  1.008561  0.668838  0.580219  1
  H  H62  1  1.008561  0.258834  0.621819  1
  H  H63  1  1.008561  0.963860  0.601009  1
  H  H64  1  0.508561  0.521384  0.569797  1
  H  H65  1  0.508561  0.111350  0.611455  1
  H  H66  1  0.508561  0.816275  0.590609  1
  H  H67  1  0.508561  0.611350  0.611455  1
  H  H68  1  0.508561  0.316275  0.590609  1
  H  H69  1  0.508561  0.021384  0.569797  1
  H  H70  1  1.008561  0.463860  0.601009  1
  H  H71  1  1.008561  0.168838  0.580219  1
  H  H72  1  1.008561  0.758834  0.621819  1
  H  H73  1  1.008561  0.553481  0.642536  1
  H  H74  1  1.008561  0.149059  0.684621  1
  H  H75  1  1.008561  0.848352  0.663507  1
  H  H76  1  0.508561  0.406436  0.632043  1
  H  H77  1  0.508561  0.993212  0.674428  1
  H  H78  1  0.508561  0.701369  0.652920  1
  H  H79  1  0.508561  0.493212  0.674428  1
  H  H80  1  0.508561  0.201369  0.652920  1
  H  H81  1  0.508561  0.906436  0.632043  1
  H  H82  1  1.008561  0.348352  0.663507  1
  H  H83  1  1.008561  0.053481  0.642536  1
  H  H84  1  1.008561  0.649059  0.684621  1
