# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.82058215
_cell_length_b   6.16828243
_cell_length_c   35.65118639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   55.15545917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H108
_cell_volume   2133.36094223
_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  0.331879  0.787603  0.459773  1
  H  H2  1  0.665213  0.787603  0.459773  1
  H  H3  1  0.459006  0.932235  0.433747  1
  H  H4  1  -0.001454  0.787603  0.459773  1
  H  H5  1  0.792340  0.932235  0.433747  1
  H  H6  1  0.384582  0.375486  0.444817  1
  H  H7  1  0.125673  0.932235  0.433747  1
  H  H8  1  0.717915  0.375486  0.444817  1
  H  H9  1  0.051249  0.375486  0.444817  1
  H  H10  1  0.134372  0.060613  0.496979  1
  H  H11  1  0.467705  0.060613  0.496979  1
  H  H12  1  0.259993  0.218525  0.471157  1
  H  H13  1  0.801039  0.060613  0.496979  1
  H  H14  1  0.593326  0.218525  0.471157  1
  H  H15  1  0.201376  0.634602  0.485600  1
  H  H16  1  -0.073340  0.218525  0.471157  1
  H  H17  1  0.534709  0.634602  0.485600  1
  H  H18  1  0.868042  0.634602  0.485600  1
  H  H19  1  -0.055888  0.326192  0.534910  1
  H  H20  1  0.277446  0.326192  0.534910  1
  H  H21  1  0.072279  0.480773  0.510093  1
  H  H22  1  0.610779  0.326192  0.534910  1
  H  H23  1  0.405612  0.480773  0.510093  1
  H  H24  1  0.007116  0.906045  0.522326  1
  H  H25  1  0.738946  0.480773  0.510093  1
  H  H26  1  0.340450  0.906045  0.522326  1
  H  H27  1  0.673783  0.906045  0.522326  1
  H  H28  1  0.752268  0.595310  0.572600  1
  H  H29  1  0.085601  0.595310  0.572600  1
  H  H30  1  0.879852  0.750483  0.547568  1
  H  H31  1  0.418935  0.595310  0.572600  1
  H  H32  1  0.213185  0.750483  0.547568  1
  H  H33  1  0.815938  0.172441  0.560036  1
  H  H34  1  0.546518  0.750483  0.547568  1
  H  H35  1  0.149271  0.172441  0.560036  1
  H  H36  1  0.482604  0.172441  0.560036  1
  H  H37  1  0.560414  0.863166  0.610414  1
  H  H38  1  -0.106253  0.863166  0.610414  1
  H  H39  1  0.688113  0.017926  0.585245  1
  H  H40  1  0.227081  0.863166  0.610414  1
  H  H41  1  0.021446  0.017926  0.585245  1
  H  H42  1  0.624375  0.440513  0.597776  1
  H  H43  1  0.354779  0.017926  0.585245  1
  H  H44  1  -0.042291  0.440513  0.597776  1
  H  H45  1  0.291042  0.440513  0.597776  1
  H  H46  1  0.368647  0.131167  0.648162  1
  H  H47  1  0.701981  0.131167  0.648162  1
  H  H48  1  0.496470  0.285900  0.622970  1
  H  H49  1  0.035314  0.131167  0.648162  1
  H  H50  1  0.829803  0.285900  0.622970  1
  H  H51  1  0.432626  0.708399  0.635571  1
  H  H52  1  0.163136  0.285900  0.622970  1
  H  H53  1  0.765959  0.708399  0.635571  1
  H  H54  1  0.099293  0.708399  0.635571  1
  H  H55  1  0.176978  0.398964  0.685944  1
  H  H56  1  0.510312  0.398964  0.685944  1
  H  H57  1  0.304801  0.553696  0.660752  1
  H  H58  1  0.843645  0.398964  0.685944  1
  H  H59  1  0.638134  0.553696  0.660752  1
  H  H60  1  0.240822  0.976464  0.673343  1
  H  H61  1  -0.028533  0.553696  0.660752  1
  H  H62  1  0.574155  0.976464  0.673343  1
  H  H63  1  -0.092511  0.976464  0.673343  1
  H  H64  1  -0.014665  0.666937  0.723669  1
  H  H65  1  0.318669  0.666937  0.723669  1
  H  H66  1  0.113034  0.821697  0.698500  1
  H  H67  1  0.652002  0.666937  0.723669  1
  H  H68  1  0.446367  0.821697  0.698500  1
  H  H69  1  0.049073  0.244350  0.711138  1
  H  H70  1  0.779701  0.821697  0.698500  1
  H  H71  1  0.382406  0.244350  0.711138  1
  H  H72  1  0.715739  0.244350  0.711138  1
  H  H73  1  0.793596  0.934381  0.761346  1
  H  H74  1  0.126930  0.934381  0.761346  1
  H  H75  1  -0.078820  0.089554  0.736314  1
  H  H76  1  0.460263  0.934381  0.761346  1
  H  H77  1  0.254513  0.089554  0.736314  1
  H  H78  1  0.857510  0.512423  0.748878  1
  H  H79  1  0.587847  0.089554  0.736314  1
  H  H80  1  0.190844  0.512423  0.748878  1
  H  H81  1  0.524177  0.512423  0.748878  1
  H  H82  1  0.601169  0.204091  0.798821  1
  H  H83  1  -0.065498  0.204091  0.798821  1
  H  H84  1  0.729336  0.358672  0.774004  1
  H  H85  1  0.267836  0.204091  0.798821  1
  H  H86  1  0.062669  0.358672  0.774004  1
  H  H87  1  0.666332  0.778819  0.786588  1
  H  H88  1  0.396002  0.358672  0.774004  1
  H  H89  1  -0.000335  0.778819  0.786588  1
  H  H90  1  0.332998  0.778819  0.786588  1
  H  H91  1  0.413455  0.466339  0.837757  1
  H  H92  1  0.746788  0.466339  0.837757  1
  H  H93  1  0.539076  0.624250  0.811935  1
  H  H94  1  0.080122  0.466339  0.837757  1
  H  H95  1  0.872409  0.624250  0.811935  1
  H  H96  1  0.472072  0.050262  0.823314  1
  H  H97  1  0.205743  0.624250  0.811935  1
  H  H98  1  0.805406  0.050262  0.823314  1
  H  H99  1  0.138739  0.050262  0.823314  1
  H  H100  1  0.214442  0.752628  0.875167  1
  H  H101  1  0.547775  0.752628  0.875167  1
  H  H102  1  0.341569  0.897260  0.849141  1
  H  H103  1  0.881108  0.752628  0.875167  1
  H  H104  1  0.674902  0.897260  0.849141  1
  H  H105  1  0.288866  0.309378  0.864097  1
  H  H106  1  0.008235  0.897260  0.849141  1
  H  H107  1  0.622199  0.309378  0.864097  1
  H  H108  1  -0.044467  0.309378  0.864097  1
