# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66850438
_cell_length_b   16.98908456
_cell_length_c   46.46182341
_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   H108
_cell_volume   3685.05520499
_cell_formula_units_Z   54
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  0.170786  0.934176  0.319412  1
  H  H2  1  0.170786  0.723650  0.286079  1
  H  H3  1  0.170786  0.328913  0.302746  1
  H  H4  1  0.670786  0.065755  0.313857  1
  H  H5  1  0.670786  0.855229  0.280523  1
  H  H6  1  0.670786  0.460492  0.297190  1
  H  H7  1  0.829208  0.065755  0.313857  1
  H  H8  1  0.829208  0.855229  0.280523  1
  H  H9  1  0.829208  0.460492  0.297190  1
  H  H10  1  0.329208  0.934176  0.319412  1
  H  H11  1  0.329208  0.723650  0.286079  1
  H  H12  1  0.329208  0.328913  0.302746  1
  H  H13  1  0.170786  0.749965  0.369412  1
  H  H14  1  0.170786  0.539439  0.336079  1
  H  H15  1  0.170786  0.144702  0.352746  1
  H  H16  1  0.670786  0.881544  0.363857  1
  H  H17  1  0.670786  0.671018  0.330523  1
  H  H18  1  0.670786  0.276281  0.347190  1
  H  H19  1  0.829208  0.881544  0.363857  1
  H  H20  1  0.829208  0.671018  0.330523  1
  H  H21  1  0.829208  0.276281  0.347190  1
  H  H22  1  0.329208  0.749965  0.369412  1
  H  H23  1  0.329208  0.539439  0.336079  1
  H  H24  1  0.329208  0.144702  0.352746  1
  H  H25  1  0.170786  0.565755  0.419412  1
  H  H26  1  0.170786  0.355229  0.386079  1
  H  H27  1  0.170786  0.960492  0.402746  1
  H  H28  1  0.670786  0.697334  0.413857  1
  H  H29  1  0.670786  0.486808  0.380523  1
  H  H30  1  0.670786  0.092071  0.397190  1
  H  H31  1  0.829208  0.697334  0.413857  1
  H  H32  1  0.829208  0.486808  0.380523  1
  H  H33  1  0.829208  0.092071  0.397190  1
  H  H34  1  0.329208  0.565755  0.419412  1
  H  H35  1  0.329208  0.355229  0.386079  1
  H  H36  1  0.329208  0.960492  0.402746  1
  H  H37  1  0.170786  0.381544  0.469412  1
  H  H38  1  0.170786  0.171018  0.436079  1
  H  H39  1  0.170786  0.776281  0.452746  1
  H  H40  1  0.670786  0.513123  0.463857  1
  H  H41  1  0.670786  0.302597  0.430523  1
  H  H42  1  0.670786  0.907860  0.447190  1
  H  H43  1  0.829208  0.513123  0.463857  1
  H  H44  1  0.829208  0.302597  0.430523  1
  H  H45  1  0.829208  0.907860  0.447190  1
  H  H46  1  0.329208  0.381544  0.469412  1
  H  H47  1  0.329208  0.171018  0.436079  1
  H  H48  1  0.329208  0.776281  0.452746  1
  H  H49  1  0.170786  0.197334  0.519412  1
  H  H50  1  0.170786  0.986808  0.486079  1
  H  H51  1  0.170786  0.592071  0.502746  1
  H  H52  1  0.670786  0.328913  0.513857  1
  H  H53  1  0.670786  0.118386  0.480523  1
  H  H54  1  0.670786  0.723650  0.497190  1
  H  H55  1  0.829208  0.328913  0.513857  1
  H  H56  1  0.829208  0.118386  0.480523  1
  H  H57  1  0.829208  0.723650  0.497190  1
  H  H58  1  0.329208  0.197334  0.519412  1
  H  H59  1  0.329208  0.986808  0.486079  1
  H  H60  1  0.329208  0.592071  0.502746  1
  H  H61  1  0.170786  0.013123  0.569412  1
  H  H62  1  0.170786  0.802597  0.536079  1
  H  H63  1  0.170786  0.407860  0.552746  1
  H  H64  1  0.670786  0.144702  0.563857  1
  H  H65  1  0.670786  0.934176  0.530523  1
  H  H66  1  0.670786  0.539439  0.547190  1
  H  H67  1  0.829208  0.144702  0.563857  1
  H  H68  1  0.829208  0.934176  0.530523  1
  H  H69  1  0.829208  0.539439  0.547190  1
  H  H70  1  0.329208  0.013123  0.569412  1
  H  H71  1  0.329208  0.802597  0.536079  1
  H  H72  1  0.329208  0.407860  0.552746  1
  H  H73  1  0.170786  0.828913  0.619412  1
  H  H74  1  0.170786  0.618386  0.586079  1
  H  H75  1  0.170786  0.223650  0.602746  1
  H  H76  1  0.670786  0.960492  0.613857  1
  H  H77  1  0.670786  0.749965  0.580523  1
  H  H78  1  0.670786  0.355229  0.597190  1
  H  H79  1  0.829208  0.960492  0.613857  1
  H  H80  1  0.829208  0.749965  0.580523  1
  H  H81  1  0.829208  0.355229  0.597190  1
  H  H82  1  0.329208  0.828913  0.619412  1
  H  H83  1  0.329208  0.618386  0.586079  1
  H  H84  1  0.329208  0.223650  0.602746  1
  H  H85  1  0.170786  0.644702  0.669412  1
  H  H86  1  0.170786  0.434176  0.636079  1
  H  H87  1  0.170786  0.039439  0.652746  1
  H  H88  1  0.670786  0.776281  0.663857  1
  H  H89  1  0.670786  0.565755  0.630523  1
  H  H90  1  0.670786  0.171018  0.647190  1
  H  H91  1  0.829208  0.776281  0.663857  1
  H  H92  1  0.829208  0.565755  0.630523  1
  H  H93  1  0.829208  0.171018  0.647190  1
  H  H94  1  0.329208  0.644702  0.669412  1
  H  H95  1  0.329208  0.434176  0.636079  1
  H  H96  1  0.329208  0.039439  0.652746  1
  H  H97  1  0.170786  0.460492  0.719412  1
  H  H98  1  0.170786  0.249965  0.686079  1
  H  H99  1  0.170786  0.855229  0.702746  1
  H  H100  1  0.670786  0.592071  0.713857  1
  H  H101  1  0.670786  0.381544  0.680523  1
  H  H102  1  0.670786  0.986808  0.697190  1
  H  H103  1  0.829208  0.592071  0.713857  1
  H  H104  1  0.829208  0.381544  0.680523  1
  H  H105  1  0.829208  0.986808  0.697190  1
  H  H106  1  0.329208  0.460492  0.719412  1
  H  H107  1  0.329208  0.249965  0.686079  1
  H  H108  1  0.329208  0.855229  0.702746  1
