# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49951210
_cell_length_b   13.12969198
_cell_length_c   48.47886271
_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   2227.48331642
_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  0.105671  0.525641  0.328125  1
  H  H2  1  0.105671  0.294872  0.286458  1
  H  H3  1  0.105671  0.910256  0.307292  1
  H  H4  1  0.894329  0.525641  0.328125  1
  H  H5  1  0.894329  0.294872  0.286458  1
  H  H6  1  0.894329  0.910256  0.307292  1
  H  H7  1  0.605671  0.333333  0.338542  1
  H  H8  1  0.605671  0.102564  0.296875  1
  H  H9  1  0.605671  0.717949  0.317708  1
  H  H10  1  0.394329  0.333333  0.338542  1
  H  H11  1  0.394329  0.102564  0.296875  1
  H  H12  1  0.394329  0.717949  0.317708  1
  H  H13  1  0.105671  0.371795  0.390625  1
  H  H14  1  0.105671  0.141026  0.348958  1
  H  H15  1  0.105671  0.756410  0.369792  1
  H  H16  1  0.894329  0.371795  0.390625  1
  H  H17  1  0.894329  0.141026  0.348958  1
  H  H18  1  0.894329  0.756410  0.369792  1
  H  H19  1  0.605671  0.179487  0.401042  1
  H  H20  1  0.605671  0.948718  0.359375  1
  H  H21  1  0.605671  0.564103  0.380208  1
  H  H22  1  0.394329  0.179487  0.401042  1
  H  H23  1  0.394329  0.948718  0.359375  1
  H  H24  1  0.394329  0.564103  0.380208  1
  H  H25  1  0.105671  0.217949  0.453125  1
  H  H26  1  0.105671  0.987179  0.411458  1
  H  H27  1  0.105671  0.602564  0.432292  1
  H  H28  1  0.894329  0.217949  0.453125  1
  H  H29  1  0.894329  0.987179  0.411458  1
  H  H30  1  0.894329  0.602564  0.432292  1
  H  H31  1  0.605671  0.025641  0.463542  1
  H  H32  1  0.605671  0.794872  0.421875  1
  H  H33  1  0.605671  0.410256  0.442708  1
  H  H34  1  0.394329  0.025641  0.463542  1
  H  H35  1  0.394329  0.794872  0.421875  1
  H  H36  1  0.394329  0.410256  0.442708  1
  H  H37  1  0.105671  0.064103  0.515625  1
  H  H38  1  0.105671  0.833333  0.473958  1
  H  H39  1  0.105671  0.448718  0.494792  1
  H  H40  1  0.894329  0.064103  0.515625  1
  H  H41  1  0.894329  0.833333  0.473958  1
  H  H42  1  0.894329  0.448718  0.494792  1
  H  H43  1  0.605671  0.871795  0.526042  1
  H  H44  1  0.605671  0.641026  0.484375  1
  H  H45  1  0.605671  0.256410  0.505208  1
  H  H46  1  0.394329  0.871795  0.526042  1
  H  H47  1  0.394329  0.641026  0.484375  1
  H  H48  1  0.394329  0.256410  0.505208  1
  H  H49  1  0.105671  0.910256  0.578125  1
  H  H50  1  0.105671  0.679487  0.536458  1
  H  H51  1  0.105671  0.294872  0.557292  1
  H  H52  1  0.894329  0.910256  0.578125  1
  H  H53  1  0.894329  0.679487  0.536458  1
  H  H54  1  0.894329  0.294872  0.557292  1
  H  H55  1  0.605671  0.717949  0.588542  1
  H  H56  1  0.605671  0.487179  0.546875  1
  H  H57  1  0.605671  0.102564  0.567708  1
  H  H58  1  0.394329  0.717949  0.588542  1
  H  H59  1  0.394329  0.487179  0.546875  1
  H  H60  1  0.394329  0.102564  0.567708  1
  H  H61  1  0.105671  0.756410  0.640625  1
  H  H62  1  0.105671  0.525641  0.598958  1
  H  H63  1  0.105671  0.141026  0.619792  1
  H  H64  1  0.894329  0.756410  0.640625  1
  H  H65  1  0.894329  0.525641  0.598958  1
  H  H66  1  0.894329  0.141026  0.619792  1
  H  H67  1  0.605671  0.564103  0.651042  1
  H  H68  1  0.605671  0.333333  0.609375  1
  H  H69  1  0.605671  0.948718  0.630208  1
  H  H70  1  0.394329  0.564103  0.651042  1
  H  H71  1  0.394329  0.333333  0.609375  1
  H  H72  1  0.394329  0.948718  0.630208  1
  H  H73  1  0.105671  0.602564  0.703125  1
  H  H74  1  0.105671  0.371795  0.661458  1
  H  H75  1  0.105671  0.987179  0.682292  1
  H  H76  1  0.894329  0.602564  0.703125  1
  H  H77  1  0.894329  0.371795  0.661458  1
  H  H78  1  0.894329  0.987179  0.682292  1
  H  H79  1  0.605671  0.410256  0.713542  1
  H  H80  1  0.605671  0.179487  0.671875  1
  H  H81  1  0.605671  0.794872  0.692708  1
  H  H82  1  0.394329  0.410256  0.713542  1
  H  H83  1  0.394329  0.179487  0.671875  1
  H  H84  1  0.394329  0.794872  0.692708  1
