# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42256060
_cell_length_b   7.99477055
_cell_length_c   49.51094779
_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   H48
_cell_volume   1354.74760192
_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  0.500000  0.541776  0.345681  1
  H  H2  1  0.500000  0.908315  0.309966  1
  H  H3  1  0.500000  0.493981  0.332891  1
  H  H4  1  0.500000  0.860521  0.297176  1
  H  H5  1  1.000000  0.591585  0.292109  1
  H  H6  1  1.000000  0.225046  0.327824  1
  H  H7  1  1.000000  0.810712  0.350748  1
  H  H8  1  1.000000  0.177251  0.315034  1
  H  H9  1  0.500000  0.808698  0.417109  1
  H  H10  1  0.500000  0.175237  0.381395  1
  H  H11  1  0.500000  0.760903  0.404319  1
  H  H12  1  0.500000  0.127442  0.368605  1
  H  H13  1  1.000000  0.858507  0.363538  1
  H  H14  1  1.000000  0.491968  0.399252  1
  H  H15  1  1.000000  0.077634  0.422176  1
  H  H16  1  1.000000  0.444173  0.386462  1
  H  H17  1  0.500000  0.075620  0.488538  1
  H  H18  1  0.500000  0.442159  0.452824  1
  H  H19  1  0.500000  0.027825  0.475748  1
  H  H20  1  0.500000  0.394364  0.440034  1
  H  H21  1  1.000000  0.125428  0.434966  1
  H  H22  1  1.000000  0.758889  0.470681  1
  H  H23  1  1.000000  0.344556  0.493605  1
  H  H24  1  1.000000  0.711095  0.457891  1
  H  H25  1  0.500000  0.342542  0.559966  1
  H  H26  1  0.500000  0.709081  0.524252  1
  H  H27  1  0.500000  0.294747  0.547176  1
  H  H28  1  0.500000  0.661286  0.511462  1
  H  H29  1  1.000000  0.392350  0.506395  1
  H  H30  1  1.000000  0.025811  0.542109  1
  H  H31  1  1.000000  0.611477  0.565034  1
  H  H32  1  1.000000  0.978017  0.529319  1
  H  H33  1  0.500000  0.609464  0.631395  1
  H  H34  1  0.500000  0.976003  0.595681  1
  H  H35  1  0.500000  0.561669  0.618605  1
  H  H36  1  0.500000  0.928208  0.582891  1
  H  H37  1  1.000000  0.659272  0.577824  1
  H  H38  1  1.000000  0.292733  0.613538  1
  H  H39  1  1.000000  0.878399  0.636462  1
  H  H40  1  1.000000  0.244938  0.600748  1
  H  H41  1  0.500000  0.876385  0.702824  1
  H  H42  1  0.500000  0.242924  0.667109  1
  H  H43  1  0.500000  0.828591  0.690034  1
  H  H44  1  0.500000  0.195130  0.654319  1
  H  H45  1  1.000000  0.926194  0.649252  1
  H  H46  1  1.000000  0.559655  0.684966  1
  H  H47  1  1.000000  0.145321  0.707891  1
  H  H48  1  1.000000  0.511860  0.672176  1
