# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.13861129
_cell_length_b   12.13861129
_cell_length_c   48.75633562
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   7038.89818387
_cell_formula_units_Z   40
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  0.229167  0.229167  0.284091  1
  H  H2  1  0.729167  0.729167  0.284091  1
  H  H3  1  0.645833  0.145833  0.329545  1
  H  H4  1  0.145833  0.645833  0.329545  1
  H  H5  1  0.895833  0.895833  0.329545  1
  H  H6  1  0.395833  0.395833  0.329545  1
  H  H7  1  0.479167  0.979167  0.284091  1
  H  H8  1  0.979167  0.479167  0.284091  1
  H  H9  1  0.187500  0.937500  0.306818  1
  H  H10  1  0.687500  0.437500  0.306818  1
  H  H11  1  0.604167  0.854167  0.352273  1
  H  H12  1  0.104167  0.354167  0.352273  1
  H  H13  1  0.937500  0.187500  0.306818  1
  H  H14  1  0.437500  0.687500  0.306818  1
  H  H15  1  0.354167  0.104167  0.352273  1
  H  H16  1  0.854167  0.604167  0.352273  1
  H  H17  1  0.062500  0.062500  0.375000  1
  H  H18  1  0.562500  0.562500  0.375000  1
  H  H19  1  0.479167  0.979167  0.420455  1
  H  H20  1  0.979167  0.479167  0.420455  1
  H  H21  1  0.729167  0.729167  0.420455  1
  H  H22  1  0.229167  0.229167  0.420455  1
  H  H23  1  0.312500  0.812500  0.375000  1
  H  H24  1  0.812500  0.312500  0.375000  1
  H  H25  1  0.020833  0.770833  0.397727  1
  H  H26  1  0.520833  0.270833  0.397727  1
  H  H27  1  0.437500  0.687500  0.443182  1
  H  H28  1  0.937500  0.187500  0.443182  1
  H  H29  1  0.770833  0.020833  0.397727  1
  H  H30  1  0.270833  0.520833  0.397727  1
  H  H31  1  0.187500  0.937500  0.443182  1
  H  H32  1  0.687500  0.437500  0.443182  1
  H  H33  1  0.895833  0.895833  0.465909  1
  H  H34  1  0.395833  0.395833  0.465909  1
  H  H35  1  0.312500  0.812500  0.511364  1
  H  H36  1  0.812500  0.312500  0.511364  1
  H  H37  1  0.562500  0.562500  0.511364  1
  H  H38  1  0.062500  0.062500  0.511364  1
  H  H39  1  0.145833  0.645833  0.465909  1
  H  H40  1  0.645833  0.145833  0.465909  1
  H  H41  1  0.854167  0.604167  0.488636  1
  H  H42  1  0.354167  0.104167  0.488636  1
  H  H43  1  0.270833  0.520833  0.534091  1
  H  H44  1  0.770833  0.020833  0.534091  1
  H  H45  1  0.604167  0.854167  0.488636  1
  H  H46  1  0.104167  0.354167  0.488636  1
  H  H47  1  0.020833  0.770833  0.534091  1
  H  H48  1  0.520833  0.270833  0.534091  1
  H  H49  1  0.729167  0.729167  0.556818  1
  H  H50  1  0.229167  0.229167  0.556818  1
  H  H51  1  0.145833  0.645833  0.602273  1
  H  H52  1  0.645833  0.145833  0.602273  1
  H  H53  1  0.395833  0.395833  0.602273  1
  H  H54  1  0.895833  0.895833  0.602273  1
  H  H55  1  0.979167  0.479167  0.556818  1
  H  H56  1  0.479167  0.979167  0.556818  1
  H  H57  1  0.687500  0.437500  0.579545  1
  H  H58  1  0.187500  0.937500  0.579545  1
  H  H59  1  0.104167  0.354167  0.625000  1
  H  H60  1  0.604167  0.854167  0.625000  1
  H  H61  1  0.437500  0.687500  0.579545  1
  H  H62  1  0.937500  0.187500  0.579545  1
  H  H63  1  0.854167  0.604167  0.625000  1
  H  H64  1  0.354167  0.104167  0.625000  1
  H  H65  1  0.562500  0.562500  0.647727  1
  H  H66  1  0.062500  0.062500  0.647727  1
  H  H67  1  0.979167  0.479167  0.693182  1
  H  H68  1  0.479167  0.979167  0.693182  1
  H  H69  1  0.229167  0.229167  0.693182  1
  H  H70  1  0.729167  0.729167  0.693182  1
  H  H71  1  0.812500  0.312500  0.647727  1
  H  H72  1  0.312500  0.812500  0.647727  1
  H  H73  1  0.520833  0.270833  0.670455  1
  H  H74  1  0.020833  0.770833  0.670455  1
  H  H75  1  0.937500  0.187500  0.715909  1
  H  H76  1  0.437500  0.687500  0.715909  1
  H  H77  1  0.270833  0.520833  0.670455  1
  H  H78  1  0.770833  0.020833  0.670455  1
  H  H79  1  0.687500  0.437500  0.715909  1
  H  H80  1  0.187500  0.937500  0.715909  1
