# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20351464
_cell_length_b   6.47914855
_cell_length_c   46.71437991
_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   2482.95291284
_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  0.296319  0.832700  0.268439  1
  H  H2  1  0.390607  0.486313  0.282244  1
  H  H3  1  0.302074  0.132508  0.298282  1
  H  H4  1  0.549953  0.983379  0.282644  1
  H  H5  1  0.636228  0.638740  0.296884  1
  H  H6  1  0.553250  0.284697  0.312266  1
  H  H7  1  0.799535  0.138740  0.296884  1
  H  H8  1  0.882513  0.784697  0.312266  1
  H  H9  1  0.885811  0.483379  0.282644  1
  H  H10  1  0.045156  0.986313  0.282244  1
  H  H11  1  0.133689  0.632508  0.298282  1
  H  H12  1  0.139444  0.332700  0.268439  1
  H  H13  1  0.386289  0.779766  0.314307  1
  H  H14  1  0.298271  0.427143  0.328145  1
  H  H15  1  0.389808  0.075157  0.343455  1
  H  H16  1  0.637045  0.929662  0.328645  1
  H  H17  1  0.547873  0.572698  0.343011  1
  H  H18  1  0.639585  0.219754  0.358158  1
  H  H19  1  0.887890  0.072698  0.343011  1
  H  H20  1  0.796179  0.719754  0.358158  1
  H  H21  1  0.798718  0.429662  0.328645  1
  H  H22  1  0.137492  0.927143  0.328145  1
  H  H23  1  0.045955  0.575157  0.343455  1
  H  H24  1  0.049474  0.279766  0.314307  1
  H  H25  1  0.294548  0.716642  0.358729  1
  H  H26  1  0.390898  0.364496  0.373333  1
  H  H27  1  0.295534  1.006909  0.388558  1
  H  H28  1  0.544379  0.861383  0.373385  1
  H  H29  1  0.641220  0.508404  0.388337  1
  H  H30  1  0.545102  0.152781  0.403371  1
  H  H31  1  0.794543  1.008404  0.388337  1
  H  H32  1  0.890661  0.652781  0.403371  1
  H  H33  1  0.891384  0.361383  0.373385  1
  H  H34  1  0.044865  0.864496  0.373333  1
  H  H35  1  0.140229  0.506909  0.388558  1
  H  H36  1  0.141215  0.216642  0.358729  1
  H  H37  1  0.390630  0.651911  0.403776  1
  H  H38  1  0.295230  0.297239  0.418558  1
  H  H39  1  0.390419  0.942822  0.433775  1
  H  H40  1  0.640259  0.797901  0.418575  1
  H  H41  1  0.545909  0.442235  0.433670  1
  H  H42  1  0.640049  0.088113  0.448750  1
  H  H43  1  0.889854  0.942235  0.433670  1
  H  H44  1  0.795715  0.588113  0.448750  1
  H  H45  1  0.795505  0.297901  0.418575  1
  H  H46  1  0.140533  0.797239  0.418558  1
  H  H47  1  0.045344  0.442822  0.433775  1
  H  H48  1  0.045133  0.151911  0.403776  1
  H  H49  1  0.295490  0.587236  0.448931  1
  H  H50  1  0.389920  0.233281  0.463912  1
  H  H51  1  0.295904  0.877723  0.479095  1
  H  H52  1  0.545640  0.732559  0.463887  1
  H  H53  1  0.640106  0.378210  0.479049  1
  H  H54  1  0.545650  1.023325  0.494072  1
  H  H55  1  0.795657  0.878210  0.479049  1
  H  H56  1  0.890113  0.523325  0.494072  1
  H  H57  1  0.890123  0.232559  0.463887  1
  H  H58  1  0.045843  0.733281  0.463912  1
  H  H59  1  0.139859  0.377723  0.479095  1
  H  H60  1  0.140273  0.087236  0.448931  1
  H  H61  1  0.295657  0.168119  0.509275  1
  H  H62  1  0.390123  0.813770  0.524437  1
  H  H63  1  0.390113  0.523004  0.494252  1
  H  H64  1  0.545843  0.313048  0.524412  1
  H  H65  1  0.640273  0.959093  0.539393  1
  H  H66  1  0.639859  0.668607  0.509229  1
  H  H67  1  0.795490  0.459093  0.539393  1
  H  H68  1  0.795904  0.168607  0.509229  1
  H  H69  1  0.889920  0.813048  0.524412  1
  H  H70  1  0.045640  0.313770  0.524437  1
  H  H71  1  0.045650  1.023004  0.494252  1
  H  H72  1  0.140106  0.668119  0.509275  1
  H  H73  1  0.389854  0.104095  0.554654  1
  H  H74  1  0.295505  0.748428  0.569749  1
  H  H75  1  0.295715  0.458217  0.539574  1
  H  H76  1  0.640533  0.249091  0.569766  1
  H  H77  1  0.545133  0.894419  0.584548  1
  H  H78  1  0.545344  0.603507  0.554549  1
  H  H79  1  0.890630  0.394419  0.584548  1
  H  H80  1  0.890419  0.103507  0.554549  1
  H  H81  1  0.795230  0.749091  0.569766  1
  H  H82  1  0.140259  0.248428  0.569749  1
  H  H83  1  0.140049  0.958217  0.539574  1
  H  H84  1  0.045909  0.604095  0.554654  1
  H  H85  1  0.294543  1.037925  0.599987  1
  H  H86  1  0.391384  0.684946  0.614939  1
  H  H87  1  0.390661  0.393548  0.584953  1
  H  H88  1  0.544865  0.181833  0.614991  1
  H  H89  1  0.641215  0.829688  0.629595  1
  H  H90  1  0.640229  0.539421  0.599767  1
  H  H91  1  0.794548  0.329688  0.629595  1
  H  H92  1  0.795534  1.039421  0.599767  1
  H  H93  1  0.890898  0.681833  0.614991  1
  H  H94  1  0.044379  0.184946  0.614939  1
  H  H95  1  0.045102  0.893548  0.584953  1
  H  H96  1  0.141220  0.537925  0.599987  1
  H  H97  1  0.387890  0.973631  0.645313  1
  H  H98  1  0.298718  0.616668  0.659680  1
  H  H99  1  0.296179  0.326575  0.630166  1
  H  H100  1  0.637492  0.119187  0.660179  1
  H  H101  1  0.549474  0.766563  0.674017  1
  H  H102  1  0.545955  0.471172  0.644869  1
  H  H103  1  0.886289  0.266563  0.674017  1
  H  H104  1  0.889808  0.971172  0.644869  1
  H  H105  1  0.798271  0.619187  0.660179  1
  H  H106  1  0.137045  0.116668  0.659680  1
  H  H107  1  0.139585  0.826575  0.630166  1
  H  H108  1  0.047873  0.473631  0.645313  1
  H  H109  1  0.299535  0.907589  0.691440  1
  H  H110  1  0.385811  0.562950  0.705680  1
  H  H111  1  0.382513  0.261632  0.676058  1
  H  H112  1  0.545156  0.060017  0.706080  1
  H  H113  1  0.639444  0.713630  0.719885  1
  H  H114  1  0.633689  0.413821  0.690042  1
  H  H115  1  0.796319  0.213630  0.719885  1
  H  H116  1  0.802074  0.913821  0.690042  1
  H  H117  1  0.890607  0.560017  0.706080  1
  H  H118  1  0.049953  0.062950  0.705680  1
  H  H119  1  0.053250  0.761632  0.676058  1
  H  H120  1  0.136228  0.407589  0.691440  1
