# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22082024
_cell_length_b   22.89950003
_cell_length_c   49.21190455
_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   H120
_cell_volume   2502.70453485
_cell_formula_units_Z   60
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  0.748038  0.206989  0.298850  1
  H  H2  1  0.748038  0.543712  0.284675  1
  H  H3  1  0.748038  0.888310  0.270558  1
  H  H4  1  0.248038  0.115735  0.313344  1
  H  H5  1  0.248038  0.455676  0.299869  1
  H  H6  1  0.248038  0.798386  0.284829  1
  H  H7  1  0.748038  0.043712  0.284675  1
  H  H8  1  0.748038  0.388310  0.270558  1
  H  H9  1  0.748038  0.706989  0.298850  1
  H  H10  1  0.248038  0.298386  0.284829  1
  H  H11  1  0.248038  0.615735  0.313344  1
  H  H12  1  0.248038  0.955676  0.299869  1
  H  H13  1  0.748038  0.184846  0.343613  1
  H  H14  1  0.748038  0.524967  0.329578  1
  H  H15  1  0.748038  0.865746  0.315233  1
  H  H16  1  0.248038  0.094629  0.358318  1
  H  H17  1  0.248038  0.434779  0.344330  1
  H  H18  1  0.248038  0.775493  0.329347  1
  H  H19  1  0.748038  0.024967  0.329578  1
  H  H20  1  0.748038  0.365746  0.315233  1
  H  H21  1  0.748038  0.684846  0.343613  1
  H  H22  1  0.248038  0.275493  0.329347  1
  H  H23  1  0.248038  0.594629  0.358318  1
  H  H24  1  0.248038  0.934779  0.344330  1
  H  H25  1  0.748038  0.163085  0.388157  1
  H  H26  1  0.748038  0.503958  0.373763  1
  H  H27  1  0.748038  0.844019  0.359195  1
  H  H28  1  0.248038  0.072957  0.403050  1
  H  H29  1  0.248038  0.413211  0.388654  1
  H  H30  1  0.248038  0.753352  0.373588  1
  H  H31  1  0.748038  1.003958  0.373763  1
  H  H32  1  0.748038  0.344019  0.359195  1
  H  H33  1  0.748038  0.663085  0.388157  1
  H  H34  1  0.248038  0.253352  0.373588  1
  H  H35  1  0.248038  0.572957  0.403050  1
  H  H36  1  0.248038  0.913211  0.388654  1
  H  H37  1  0.748038  0.141648  0.432769  1
  H  H38  1  0.748038  0.482349  0.418144  1
  H  H39  1  0.748038  0.822407  0.403433  1
  H  H40  1  0.248038  0.051329  0.447640  1
  H  H41  1  0.248038  0.391610  0.433015  1
  H  H42  1  0.248038  0.731897  0.418043  1
  H  H43  1  0.748038  0.982349  0.418144  1
  H  H44  1  0.748038  0.322407  0.403433  1
  H  H45  1  0.748038  0.641648  0.432769  1
  H  H46  1  0.248038  0.231897  0.418043  1
  H  H47  1  0.248038  0.551329  0.447640  1
  H  H48  1  0.248038  0.891610  0.433015  1
  H  H49  1  0.748038  0.120168  0.477323  1
  H  H50  1  0.748038  0.460731  0.462560  1
  H  H51  1  0.748038  0.800926  0.447800  1
  H  H52  1  0.248038  0.029761  0.492141  1
  H  H53  1  0.248038  0.370036  0.477408  1
  H  H54  1  0.248038  0.710481  0.462540  1
  H  H55  1  0.748038  0.960731  0.462560  1
  H  H56  1  0.748038  0.300926  0.447800  1
  H  H57  1  0.748038  0.620168  0.477323  1
  H  H58  1  0.248038  0.210481  0.462540  1
  H  H59  1  0.248038  0.529761  0.492141  1
  H  H60  1  0.248038  0.870036  0.477408  1
  H  H61  1  0.748038  0.098704  0.521843  1
  H  H62  1  0.748038  0.439148  0.506975  1
  H  H63  1  0.748038  0.779423  0.492242  1
  H  H64  1  0.248038  0.008258  0.536583  1
  H  H65  1  0.248038  0.348454  0.521823  1
  H  H66  1  0.248038  0.689016  0.507060  1
  H  H67  1  0.748038  0.939148  0.506975  1
  H  H68  1  0.748038  0.279423  0.492242  1
  H  H69  1  0.748038  0.598704  0.521843  1
  H  H70  1  0.248038  0.189016  0.507060  1
  H  H71  1  0.248038  0.508258  0.536583  1
  H  H72  1  0.248038  0.848454  0.521823  1
  H  H73  1  0.748038  0.077287  0.566341  1
  H  H74  1  0.748038  0.417574  0.551368  1
  H  H75  1  0.748038  0.757855  0.536743  1
  H  H76  1  0.248038  0.986777  0.580950  1
  H  H77  1  0.248038  0.326836  0.566239  1
  H  H78  1  0.248038  0.667537  0.551615  1
  H  H79  1  0.748038  0.917574  0.551368  1
  H  H80  1  0.748038  0.257855  0.536743  1
  H  H81  1  0.748038  0.577287  0.566341  1
  H  H82  1  0.248038  0.167537  0.551615  1
  H  H83  1  0.248038  0.486777  0.580950  1
  H  H84  1  0.248038  0.826836  0.566239  1
  H  H85  1  0.748038  0.055833  0.610795  1
  H  H86  1  0.748038  0.395973  0.595729  1
  H  H87  1  0.748038  0.736228  0.581333  1
  H  H88  1  0.248038  0.965165  0.625189  1
  H  H89  1  0.248038  0.305227  0.610620  1
  H  H90  1  0.248038  0.646099  0.596227  1
  H  H91  1  0.748038  0.895973  0.595729  1
  H  H92  1  0.748038  0.236228  0.581333  1
  H  H93  1  0.748038  0.555833  0.610795  1
  H  H94  1  0.248038  0.146099  0.596227  1
  H  H95  1  0.248038  0.465165  0.625189  1
  H  H96  1  0.248038  0.805227  0.610620  1
  H  H97  1  0.748038  0.033691  0.655037  1
  H  H98  1  0.748038  0.374406  0.640053  1
  H  H99  1  0.748038  0.714555  0.626065  1
  H  H100  1  0.248038  0.943438  0.669150  1
  H  H101  1  0.248038  0.284218  0.654805  1
  H  H102  1  0.248038  0.624339  0.640770  1
  H  H103  1  0.748038  0.874406  0.640053  1
  H  H104  1  0.748038  0.214555  0.626065  1
  H  H105  1  0.748038  0.533691  0.655037  1
  H  H106  1  0.248038  0.124339  0.640770  1
  H  H107  1  0.248038  0.443438  0.669150  1
  H  H108  1  0.248038  0.784218  0.654805  1
  H  H109  1  0.748038  0.010798  0.699554  1
  H  H110  1  0.748038  0.353508  0.684514  1
  H  H111  1  0.748038  0.693449  0.671040  1
  H  H112  1  0.248038  0.920874  0.713825  1
  H  H113  1  0.248038  0.265472  0.699708  1
  H  H114  1  0.248038  0.602195  0.685533  1
  H  H115  1  0.748038  0.853508  0.684514  1
  H  H116  1  0.748038  0.193449  0.671040  1
  H  H117  1  0.748038  0.510798  0.699554  1
  H  H118  1  0.248038  0.102195  0.685533  1
  H  H119  1  0.248038  0.420874  0.713825  1
  H  H120  1  0.248038  0.765472  0.699708  1
