# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66881076
_cell_length_b   14.06171457
_cell_length_c   47.77364211
_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   H96
_cell_volume   3136.41051467
_cell_formula_units_Z   48
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  0.170758  0.557343  0.270901  1
  H  H2  1  0.170758  0.095805  0.310117  1
  H  H3  1  0.170758  0.826574  0.290509  1
  H  H4  1  0.670758  0.518882  0.316653  1
  H  H5  1  0.670758  0.249651  0.297045  1
  H  H6  1  0.670758  0.980420  0.277437  1
  H  H7  1  0.829170  0.518882  0.316653  1
  H  H8  1  0.829170  0.249651  0.297045  1
  H  H9  1  0.829170  0.980420  0.277437  1
  H  H10  1  0.329170  0.557343  0.270901  1
  H  H11  1  0.329170  0.095805  0.310117  1
  H  H12  1  0.329170  0.826574  0.290509  1
  H  H13  1  0.170758  0.365035  0.329725  1
  H  H14  1  0.170758  0.903497  0.368940  1
  H  H15  1  0.170758  0.634266  0.349332  1
  H  H16  1  0.670758  0.326574  0.375476  1
  H  H17  1  0.670758  0.057343  0.355868  1
  H  H18  1  0.670758  0.788112  0.336261  1
  H  H19  1  0.829170  0.326574  0.375476  1
  H  H20  1  0.829170  0.057343  0.355868  1
  H  H21  1  0.829170  0.788112  0.336261  1
  H  H22  1  0.329170  0.365035  0.329725  1
  H  H23  1  0.329170  0.903497  0.368940  1
  H  H24  1  0.329170  0.634266  0.349332  1
  H  H25  1  0.170758  0.172728  0.388548  1
  H  H26  1  0.170758  0.711189  0.427764  1
  H  H27  1  0.170758  0.441958  0.408156  1
  H  H28  1  0.670758  0.134266  0.434300  1
  H  H29  1  0.670758  0.865035  0.414692  1
  H  H30  1  0.670758  0.595805  0.395084  1
  H  H31  1  0.829170  0.134266  0.434300  1
  H  H32  1  0.829170  0.865035  0.414692  1
  H  H33  1  0.829170  0.595805  0.395084  1
  H  H34  1  0.329170  0.172728  0.388548  1
  H  H35  1  0.329170  0.711189  0.427764  1
  H  H36  1  0.329170  0.441958  0.408156  1
  H  H37  1  0.170758  0.980420  0.447372  1
  H  H38  1  0.170758  0.518882  0.486587  1
  H  H39  1  0.170758  0.249651  0.466980  1
  H  H40  1  0.670758  0.941958  0.493123  1
  H  H41  1  0.670758  0.672728  0.473515  1
  H  H42  1  0.670758  0.403497  0.453908  1
  H  H43  1  0.829170  0.941958  0.493123  1
  H  H44  1  0.829170  0.672728  0.473515  1
  H  H45  1  0.829170  0.403497  0.453908  1
  H  H46  1  0.329170  0.980420  0.447372  1
  H  H47  1  0.329170  0.518882  0.486587  1
  H  H48  1  0.329170  0.249651  0.466980  1
  H  H49  1  0.170758  0.788112  0.506195  1
  H  H50  1  0.170758  0.326574  0.545411  1
  H  H51  1  0.170758  0.057343  0.525803  1
  H  H52  1  0.670758  0.749651  0.551947  1
  H  H53  1  0.670758  0.480420  0.532339  1
  H  H54  1  0.670758  0.211189  0.512731  1
  H  H55  1  0.829170  0.749651  0.551947  1
  H  H56  1  0.829170  0.480420  0.532339  1
  H  H57  1  0.829170  0.211189  0.512731  1
  H  H58  1  0.329170  0.788112  0.506195  1
  H  H59  1  0.329170  0.326574  0.545411  1
  H  H60  1  0.329170  0.057343  0.525803  1
  H  H61  1  0.170758  0.595805  0.565019  1
  H  H62  1  0.170758  0.134266  0.604234  1
  H  H63  1  0.170758  0.865035  0.584627  1
  H  H64  1  0.670758  0.557343  0.610770  1
  H  H65  1  0.670758  0.288112  0.591163  1
  H  H66  1  0.670758  0.018882  0.571555  1
  H  H67  1  0.829170  0.557343  0.610770  1
  H  H68  1  0.829170  0.288112  0.591163  1
  H  H69  1  0.829170  0.018882  0.571555  1
  H  H70  1  0.329170  0.595805  0.565019  1
  H  H71  1  0.329170  0.134266  0.604234  1
  H  H72  1  0.329170  0.865035  0.584627  1
  H  H73  1  0.170758  0.403497  0.623842  1
  H  H74  1  0.170758  0.941958  0.663058  1
  H  H75  1  0.170758  0.672728  0.643450  1
  H  H76  1  0.670758  0.365035  0.669594  1
  H  H77  1  0.670758  0.095805  0.649986  1
  H  H78  1  0.670758  0.826574  0.630378  1
  H  H79  1  0.829170  0.365035  0.669594  1
  H  H80  1  0.829170  0.095805  0.649986  1
  H  H81  1  0.829170  0.826574  0.630378  1
  H  H82  1  0.329170  0.403497  0.623842  1
  H  H83  1  0.329170  0.941958  0.663058  1
  H  H84  1  0.329170  0.672728  0.643450  1
  H  H85  1  0.170758  0.211189  0.682666  1
  H  H86  1  0.170758  0.749651  0.721882  1
  H  H87  1  0.170758  0.480420  0.702274  1
  H  H88  1  0.670758  0.172728  0.728418  1
  H  H89  1  0.670758  0.903497  0.708810  1
  H  H90  1  0.670758  0.634266  0.689202  1
  H  H91  1  0.829170  0.172728  0.728418  1
  H  H92  1  0.829170  0.903497  0.708810  1
  H  H93  1  0.829170  0.634266  0.689202  1
  H  H94  1  0.329170  0.211189  0.682666  1
  H  H95  1  0.329170  0.749651  0.721882  1
  H  H96  1  0.329170  0.480420  0.702274  1
