# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97303540
_cell_length_b   6.82424006
_cell_length_c   52.93538392
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.94687966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2334.66835858
_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  0.055885  0.957824  0.242426  1
  H  H2  1  0.722551  0.624491  0.242426  1
  H  H3  1  0.722551  0.957824  0.242426  1
  H  H4  1  0.389218  0.957824  0.242426  1
  H  H5  1  0.389218  0.291158  0.242426  1
  H  H6  1  0.389218  0.624491  0.242426  1
  H  H7  1  0.055885  0.624491  0.242426  1
  H  H8  1  0.055885  0.291158  0.242426  1
  H  H9  1  0.722551  0.291158  0.242426  1
  H  H10  1  0.251753  0.823405  0.278281  1
  H  H11  1  0.918419  0.490072  0.278281  1
  H  H12  1  0.918419  0.823405  0.278281  1
  H  H13  1  0.585086  0.823405  0.278281  1
  H  H14  1  0.585086  0.156738  0.278281  1
  H  H15  1  0.585086  0.490072  0.278281  1
  H  H16  1  0.251753  0.490072  0.278281  1
  H  H17  1  0.251753  0.156738  0.278281  1
  H  H18  1  0.918419  0.156738  0.278281  1
  H  H19  1  0.419948  0.658414  0.313726  1
  H  H20  1  0.086615  0.325080  0.313726  1
  H  H21  1  0.086615  0.658414  0.313726  1
  H  H22  1  0.753281  0.658414  0.313726  1
  H  H23  1  0.753281  0.991747  0.313726  1
  H  H24  1  0.753281  0.325080  0.313726  1
  H  H25  1  0.419948  0.325080  0.313726  1
  H  H26  1  0.419948  0.991747  0.313726  1
  H  H27  1  0.086615  0.991747  0.313726  1
  H  H28  1  0.557716  0.459892  0.349283  1
  H  H29  1  0.224383  0.126559  0.349283  1
  H  H30  1  0.224383  0.459892  0.349283  1
  H  H31  1  0.891049  0.459892  0.349283  1
  H  H32  1  0.891049  0.793225  0.349283  1
  H  H33  1  0.891049  0.126559  0.349283  1
  H  H34  1  0.557716  0.126559  0.349283  1
  H  H35  1  0.557716  0.793225  0.349283  1
  H  H36  1  0.224383  0.793225  0.349283  1
  H  H37  1  0.702122  0.268714  0.384963  1
  H  H38  1  0.368789  0.935381  0.384963  1
  H  H39  1  0.368789  0.268714  0.384963  1
  H  H40  1  0.035456  0.268714  0.384963  1
  H  H41  1  0.035456  0.602048  0.384963  1
  H  H42  1  0.035456  0.935381  0.384963  1
  H  H43  1  0.702122  0.935381  0.384963  1
  H  H44  1  0.702122  0.602048  0.384963  1
  H  H45  1  0.368789  0.602048  0.384963  1
  H  H46  1  0.891523  0.127098  0.420642  1
  H  H47  1  0.558189  0.793765  0.420642  1
  H  H48  1  0.558189  0.127098  0.420642  1
  H  H49  1  0.224856  0.127098  0.420642  1
  H  H50  1  0.224856  0.460432  0.420642  1
  H  H51  1  0.224856  0.793765  0.420642  1
  H  H52  1  0.891523  0.793765  0.420642  1
  H  H53  1  0.891523  0.460432  0.420642  1
  H  H54  1  0.558189  0.460432  0.420642  1
  H  H55  1  0.079773  0.984121  0.456298  1
  H  H56  1  0.746439  0.650787  0.456298  1
  H  H57  1  0.746439  0.984121  0.456298  1
  H  H58  1  0.413106  0.984121  0.456298  1
  H  H59  1  0.413106  0.317454  0.456298  1
  H  H60  1  0.413106  0.650787  0.456298  1
  H  H61  1  0.079773  0.650787  0.456298  1
  H  H62  1  0.079773  0.317454  0.456298  1
  H  H63  1  0.746439  0.317454  0.456298  1
  H  H64  1  0.269173  0.842505  0.491977  1
  H  H65  1  0.935840  0.509171  0.491977  1
  H  H66  1  0.935840  0.842505  0.491977  1
  H  H67  1  0.602506  0.842505  0.491977  1
  H  H68  1  0.602506  0.175838  0.491977  1
  H  H69  1  0.602506  0.509171  0.491977  1
  H  H70  1  0.269173  0.509171  0.491977  1
  H  H71  1  0.269173  0.175838  0.491977  1
  H  H72  1  0.935840  0.175838  0.491977  1
  H  H73  1  0.413579  0.651327  0.527657  1
  H  H74  1  0.080246  0.317994  0.527657  1
  H  H75  1  0.080246  0.651327  0.527657  1
  H  H76  1  0.746913  0.651327  0.527657  1
  H  H77  1  0.746913  0.984660  0.527657  1
  H  H78  1  0.746913  0.317994  0.527657  1
  H  H79  1  0.413579  0.317994  0.527657  1
  H  H80  1  0.413579  0.984660  0.527657  1
  H  H81  1  0.080246  0.984660  0.527657  1
  H  H82  1  0.551347  0.452805  0.563214  1
  H  H83  1  0.218014  0.119472  0.563214  1
  H  H84  1  0.218014  0.452805  0.563214  1
  H  H85  1  0.884681  0.452805  0.563214  1
  H  H86  1  0.884681  0.786139  0.563214  1
  H  H87  1  0.884681  0.119472  0.563214  1
  H  H88  1  0.551347  0.119472  0.563214  1
  H  H89  1  0.551347  0.786139  0.563214  1
  H  H90  1  0.218014  0.786139  0.563214  1
  H  H91  1  0.719542  0.287814  0.598659  1
  H  H92  1  0.386209  0.954481  0.598659  1
  H  H93  1  0.386209  0.287814  0.598659  1
  H  H94  1  0.052876  0.287814  0.598659  1
  H  H95  1  0.052876  0.621147  0.598659  1
  H  H96  1  0.052876  0.954481  0.598659  1
  H  H97  1  0.719542  0.954481  0.598659  1
  H  H98  1  0.719542  0.621147  0.598659  1
  H  H99  1  0.386209  0.621147  0.598659  1
  H  H100  1  0.915410  0.153395  0.634514  1
  H  H101  1  0.582077  0.820061  0.634514  1
  H  H102  1  0.582077  0.153395  0.634514  1
  H  H103  1  0.248744  0.153395  0.634514  1
  H  H104  1  0.248744  0.486728  0.634514  1
  H  H105  1  0.248744  0.820061  0.634514  1
  H  H106  1  0.915410  0.820061  0.634514  1
  H  H107  1  0.915410  0.486728  0.634514  1
  H  H108  1  0.582077  0.486728  0.634514  1
