# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22100689
_cell_length_b   4.56696100
_cell_length_c   48.38255168
_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   H88
_cell_volume   1816.52376791
_cell_formula_units_Z   44
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  0.334018  0.141544  0.292731  1
  H  H2  1  0.334018  0.641544  0.292731  1
  H  H3  1  0.599755  0.141544  0.292731  1
  H  H4  1  0.599755  0.641544  0.292731  1
  H  H5  1  0.833206  0.391544  0.278658  1
  H  H6  1  0.833206  0.891544  0.278658  1
  H  H7  1  0.100566  0.391544  0.278658  1
  H  H8  1  0.100566  0.891544  0.278658  1
  H  H9  1  0.335069  0.891544  0.333968  1
  H  H10  1  0.335069  0.391544  0.333968  1
  H  H11  1  0.598703  0.891544  0.333968  1
  H  H12  1  0.598703  0.391544  0.333968  1
  H  H13  1  0.835320  0.141544  0.320184  1
  H  H14  1  0.835320  0.641544  0.320184  1
  H  H15  1  0.098452  0.141544  0.320184  1
  H  H16  1  0.098452  0.641544  0.320184  1
  H  H17  1  0.335012  0.641544  0.374746  1
  H  H18  1  0.335012  0.141544  0.374746  1
  H  H19  1  0.598760  0.641544  0.374746  1
  H  H20  1  0.598760  0.141544  0.374746  1
  H  H21  1  0.835154  0.891544  0.360995  1
  H  H22  1  0.835154  0.391544  0.360995  1
  H  H23  1  0.098618  0.891544  0.360995  1
  H  H24  1  0.098618  0.391544  0.360995  1
  H  H25  1  0.335020  0.391544  0.415689  1
  H  H26  1  0.335020  0.891544  0.415689  1
  H  H27  1  0.598753  0.391544  0.415689  1
  H  H28  1  0.598753  0.891544  0.415689  1
  H  H29  1  0.835033  0.641544  0.401973  1
  H  H30  1  0.835033  0.141544  0.401973  1
  H  H31  1  0.098739  0.641544  0.401973  1
  H  H32  1  0.098739  0.141544  0.401973  1
  H  H33  1  0.335035  0.141544  0.456629  1
  H  H34  1  0.335035  0.641544  0.456629  1
  H  H35  1  0.598737  0.141544  0.456629  1
  H  H36  1  0.598737  0.641544  0.456629  1
  H  H37  1  0.835051  0.391544  0.442933  1
  H  H38  1  0.835051  0.891544  0.442933  1
  H  H39  1  0.098722  0.391544  0.442933  1
  H  H40  1  0.098722  0.891544  0.442933  1
  H  H41  1  0.335042  0.891544  0.497576  1
  H  H42  1  0.335042  0.391544  0.497576  1
  H  H43  1  0.598730  0.891544  0.497576  1
  H  H44  1  0.598730  0.391544  0.497576  1
  H  H45  1  0.835042  0.141544  0.483886  1
  H  H46  1  0.835042  0.641544  0.483886  1
  H  H47  1  0.098730  0.141544  0.483886  1
  H  H48  1  0.098730  0.641544  0.483886  1
  H  H49  1  0.335051  0.641544  0.538529  1
  H  H50  1  0.335051  0.141544  0.538529  1
  H  H51  1  0.598722  0.641544  0.538529  1
  H  H52  1  0.598722  0.141544  0.538529  1
  H  H53  1  0.835035  0.891544  0.524833  1
  H  H54  1  0.835035  0.391544  0.524833  1
  H  H55  1  0.098737  0.891544  0.524833  1
  H  H56  1  0.098737  0.391544  0.524833  1
  H  H57  1  0.335033  0.391544  0.579489  1
  H  H58  1  0.335033  0.891544  0.579489  1
  H  H59  1  0.598739  0.391544  0.579489  1
  H  H60  1  0.598739  0.891544  0.579489  1
  H  H61  1  0.835020  0.641544  0.565773  1
  H  H62  1  0.835020  0.141544  0.565773  1
  H  H63  1  0.098753  0.641544  0.565773  1
  H  H64  1  0.098753  0.141544  0.565773  1
  H  H65  1  0.335154  0.141544  0.620467  1
  H  H66  1  0.335154  0.641544  0.620467  1
  H  H67  1  0.598618  0.141544  0.620467  1
  H  H68  1  0.598618  0.641544  0.620467  1
  H  H69  1  0.835012  0.391544  0.606716  1
  H  H70  1  0.835012  0.891544  0.606716  1
  H  H71  1  0.098760  0.391544  0.606716  1
  H  H72  1  0.098760  0.891544  0.606716  1
  H  H73  1  0.335320  0.891544  0.661278  1
  H  H74  1  0.335320  0.391544  0.661278  1
  H  H75  1  0.598452  0.891544  0.661278  1
  H  H76  1  0.598452  0.391544  0.661278  1
  H  H77  1  0.835069  0.141544  0.647494  1
  H  H78  1  0.835069  0.641544  0.647494  1
  H  H79  1  0.098703  0.141544  0.647494  1
  H  H80  1  0.098703  0.641544  0.647494  1
  H  H81  1  0.333206  0.641544  0.702804  1
  H  H82  1  0.333206  0.141544  0.702804  1
  H  H83  1  0.600566  0.641544  0.702804  1
  H  H84  1  0.600566  0.141544  0.702804  1
  H  H85  1  0.834018  0.891544  0.688731  1
  H  H86  1  0.834018  0.391544  0.688731  1
  H  H87  1  0.099755  0.891544  0.688731  1
  H  H88  1  0.099755  0.391544  0.688731  1
