# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49951210
_cell_length_b   8.14268930
_cell_length_c   48.85613582
_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   H56
_cell_volume   1392.17707283
_cell_formula_units_Z   28
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  0.575000  0.308333  1
  H  H2  1  0.105671  0.175000  0.275000  1
  H  H3  1  0.894329  0.575000  0.308333  1
  H  H4  1  0.894329  0.175000  0.275000  1
  H  H5  1  0.605671  0.275000  0.325000  1
  H  H6  1  0.605671  0.875000  0.291667  1
  H  H7  1  0.394329  0.275000  0.325000  1
  H  H8  1  0.394329  0.875000  0.291667  1
  H  H9  1  0.105671  0.375000  0.375000  1
  H  H10  1  0.105671  0.975000  0.341667  1
  H  H11  1  0.894329  0.375000  0.375000  1
  H  H12  1  0.894329  0.975000  0.341667  1
  H  H13  1  0.605671  0.075000  0.391667  1
  H  H14  1  0.605671  0.675000  0.358333  1
  H  H15  1  0.394329  0.075000  0.391667  1
  H  H16  1  0.394329  0.675000  0.358333  1
  H  H17  1  0.105671  0.175000  0.441667  1
  H  H18  1  0.105671  0.775000  0.408333  1
  H  H19  1  0.894329  0.175000  0.441667  1
  H  H20  1  0.894329  0.775000  0.408333  1
  H  H21  1  0.605671  0.875000  0.458333  1
  H  H22  1  0.605671  0.475000  0.425000  1
  H  H23  1  0.394329  0.875000  0.458333  1
  H  H24  1  0.394329  0.475000  0.425000  1
  H  H25  1  0.105671  0.975000  0.508333  1
  H  H26  1  0.105671  0.575000  0.475000  1
  H  H27  1  0.894329  0.975000  0.508333  1
  H  H28  1  0.894329  0.575000  0.475000  1
  H  H29  1  0.605671  0.675000  0.525000  1
  H  H30  1  0.605671  0.275000  0.491667  1
  H  H31  1  0.394329  0.675000  0.525000  1
  H  H32  1  0.394329  0.275000  0.491667  1
  H  H33  1  0.105671  0.775000  0.575000  1
  H  H34  1  0.105671  0.375000  0.541667  1
  H  H35  1  0.894329  0.775000  0.575000  1
  H  H36  1  0.894329  0.375000  0.541667  1
  H  H37  1  0.605671  0.475000  0.591667  1
  H  H38  1  0.605671  0.075000  0.558333  1
  H  H39  1  0.394329  0.475000  0.591667  1
  H  H40  1  0.394329  0.075000  0.558333  1
  H  H41  1  0.105671  0.575000  0.641667  1
  H  H42  1  0.105671  0.175000  0.608333  1
  H  H43  1  0.894329  0.575000  0.641667  1
  H  H44  1  0.894329  0.175000  0.608333  1
  H  H45  1  0.605671  0.275000  0.658333  1
  H  H46  1  0.605671  0.875000  0.625000  1
  H  H47  1  0.394329  0.275000  0.658333  1
  H  H48  1  0.394329  0.875000  0.625000  1
  H  H49  1  0.105671  0.375000  0.708333  1
  H  H50  1  0.105671  0.975000  0.675000  1
  H  H51  1  0.894329  0.375000  0.708333  1
  H  H52  1  0.894329  0.975000  0.675000  1
  H  H53  1  0.605671  0.075000  0.725000  1
  H  H54  1  0.605671  0.675000  0.691667  1
  H  H55  1  0.394329  0.075000  0.725000  1
  H  H56  1  0.394329  0.675000  0.691667  1
