# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99837976
_cell_length_b   8.92090385
_cell_length_c   47.52362707
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.86212672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H176
_cell_volume   3715.04511335
_cell_formula_units_Z   88
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  0.744967  0.961666  0.265347  1
  H  H2  1  0.244967  0.961666  0.265347  1
  H  H3  1  0.810852  0.206959  0.269805  1
  H  H4  1  0.310852  0.206959  0.269805  1
  H  H5  1  0.651705  0.348384  0.304924  1
  H  H6  1  1.151705  0.348384  0.304924  1
  H  H7  1  0.583624  0.605665  0.298568  1
  H  H8  1  1.083624  0.605665  0.298568  1
  H  H9  1  0.494967  0.961666  0.265347  1
  H  H10  1  0.994967  0.961666  0.265347  1
  H  H11  1  0.560852  0.206959  0.269805  1
  H  H12  1  1.060852  0.206959  0.269805  1
  H  H13  1  0.401705  0.348384  0.304924  1
  H  H14  1  0.901705  0.348384  0.304924  1
  H  H15  1  0.333624  0.605665  0.298568  1
  H  H16  1  0.833624  0.605665  0.298568  1
  H  H17  1  0.649126  0.846474  0.303097  1
  H  H18  1  1.149126  0.846474  0.303097  1
  H  H19  1  0.714538  0.087979  0.308281  1
  H  H20  1  0.214538  0.087979  0.308281  1
  H  H21  1  0.553148  0.234335  0.343813  1
  H  H22  1  1.053148  0.234335  0.343813  1
  H  H23  1  0.488827  0.492725  0.339576  1
  H  H24  1  0.988827  0.492725  0.339576  1
  H  H25  1  0.399126  0.846474  0.303097  1
  H  H26  1  0.899126  0.846474  0.303097  1
  H  H27  1  0.464538  0.087979  0.308281  1
  H  H28  1  0.964538  0.087979  0.308281  1
  H  H29  1  0.303148  0.234335  0.343813  1
  H  H30  1  0.803148  0.234335  0.343813  1
  H  H31  1  0.238827  0.492725  0.339576  1
  H  H32  1  0.738827  0.492725  0.339576  1
  H  H33  1  0.553178  0.731325  0.340965  1
  H  H34  1  1.053178  0.731325  0.340965  1
  H  H35  1  0.617758  -0.027135  0.345340  1
  H  H36  1  1.117758  -0.027135  0.345340  1
  H  H37  1  0.456845  0.115062  0.381780  1
  H  H38  1  0.956845  0.115062  0.381780  1
  H  H39  1  0.390389  0.378330  0.380055  1
  H  H40  1  0.890389  0.378330  0.380055  1
  H  H41  1  0.303178  0.731325  0.340965  1
  H  H42  1  0.803178  0.731325  0.340965  1
  H  H43  1  0.367758  -0.027135  0.345340  1
  H  H44  1  0.867758  -0.027135  0.345340  1
  H  H45  1  0.206845  0.115062  0.381780  1
  H  H46  1  0.706845  0.115062  0.381780  1
  H  H47  1  1.140389  0.378330  0.380055  1
  H  H48  1  0.640389  0.378330  0.380055  1
  H  H49  1  0.452747  0.623906  0.380324  1
  H  H50  1  0.952747  0.623906  0.380324  1
  H  H51  1  0.521189  0.858768  0.382261  1
  H  H52  1  1.021189  0.858768  0.382261  1
  H  H53  1  0.370284  -0.026236  0.420234  1
  H  H54  1  0.870284  -0.026236  0.420234  1
  H  H55  1  0.303651  0.235082  0.418711  1
  H  H56  1  0.803651  0.235082  0.418711  1
  H  H57  1  0.202747  0.623906  0.380324  1
  H  H58  1  0.702747  0.623906  0.380324  1
  H  H59  1  0.271189  0.858768  0.382261  1
  H  H60  1  0.771189  0.858768  0.382261  1
  H  H61  1  1.120284  -0.026236  0.420234  1
  H  H62  1  0.620284  -0.026236  0.420234  1
  H  H63  1  1.053651  0.235082  0.418711  1
  H  H64  1  0.553651  0.235082  0.418711  1
  H  H65  1  0.489521  0.487421  0.419965  1
  H  H66  1  0.989521  0.487421  0.419965  1
  H  H67  1  0.558049  0.725105  0.421796  1
  H  H68  1  1.058049  0.725105  0.421796  1
  H  H69  1  0.268596  0.871824  0.460719  1
  H  H70  1  0.768596  0.871824  0.460719  1
  H  H71  1  0.335255  0.114278  0.460817  1
  H  H72  1  0.835255  0.114278  0.460817  1
  H  H73  1  0.239521  0.487421  0.419965  1
  H  H74  1  0.739521  0.487421  0.419965  1
  H  H75  1  0.308049  0.725105  0.421796  1
  H  H76  1  0.808049  0.725105  0.421796  1
  H  H77  1  1.018596  0.871824  0.460719  1
  H  H78  1  0.518596  0.871824  0.460719  1
  H  H79  1  1.085255  0.114278  0.460817  1
  H  H80  1  0.585255  0.114278  0.460817  1
  H  H81  1  0.397379  0.363827  0.458016  1
  H  H82  1  0.897379  0.363827  0.458016  1
  H  H83  1  0.460304  0.617292  0.460611  1
  H  H84  1  0.960304  0.617292  0.460611  1
  H  H85  1  0.169085  0.763467  0.499093  1
  H  H86  1  0.669085  0.763467  0.499093  1
  H  H87  1  0.232010  0.016932  0.501688  1
  H  H88  1  0.732010  0.016932  0.501688  1
  H  H89  1  1.147379  0.363827  0.458016  1
  H  H90  1  0.647379  0.363827  0.458016  1
  H  H91  1  0.210304  0.617292  0.460611  1
  H  H92  1  0.710304  0.617292  0.460611  1
  H  H93  1  0.919085  0.763467  0.499093  1
  H  H94  1  0.419085  0.763467  0.499093  1
  H  H95  1  0.982010  0.016932  0.501688  1
  H  H96  1  0.482010  0.016932  0.501688  1
  H  H97  1  0.294133  0.266482  0.498887  1
  H  H98  1  0.794133  0.266482  0.498887  1
  H  H99  1  0.360793  0.508935  0.498985  1
  H  H100  1  0.860793  0.508935  0.498985  1
  H  H101  1  1.071340  0.655654  0.537908  1
  H  H102  1  0.571340  0.655654  0.537908  1
  H  H103  1  1.139868  0.893338  0.539739  1
  H  H104  1  0.639868  0.893338  0.539739  1
  H  H105  1  1.044133  0.266482  0.498887  1
  H  H106  1  0.544133  0.266482  0.498887  1
  H  H107  1  1.110793  0.508935  0.498985  1
  H  H108  1  0.610793  0.508935  0.498985  1
  H  H109  1  0.821340  0.655654  0.537908  1
  H  H110  1  0.321340  0.655654  0.537908  1
  H  H111  1  0.889868  0.893338  0.539739  1
  H  H112  1  0.389868  0.893338  0.539739  1
  H  H113  1  0.325737  0.145677  0.540993  1
  H  H114  1  0.825737  0.145677  0.540993  1
  H  H115  1  0.259105  0.406995  0.539470  1
  H  H116  1  0.759105  0.406995  0.539470  1
  H  H117  1  1.108200  0.521992  0.577442  1
  H  H118  1  0.608200  0.521992  0.577442  1
  H  H119  1  0.176642  0.756853  0.579380  1
  H  H120  1  0.676642  0.756853  0.579380  1
  H  H121  1  1.075737  0.145677  0.540993  1
  H  H122  1  0.575737  0.145677  0.540993  1
  H  H123  1  1.009105  0.406995  0.539470  1
  H  H124  1  0.509105  0.406995  0.539470  1
  H  H125  1  0.858200  0.521992  0.577442  1
  H  H126  1  0.358200  0.521992  0.577442  1
  H  H127  1  0.926642  0.756853  0.579380  1
  H  H128  1  0.426642  0.756853  0.579380  1
  H  H129  1  0.239000  0.002429  0.579649  1
  H  H130  1  0.739000  0.002429  0.579649  1
  H  H131  1  0.172544  0.265698  0.577924  1
  H  H132  1  0.672544  0.265698  0.577924  1
  H  H133  1  1.011631  0.407895  0.614364  1
  H  H134  1  0.511631  0.407895  0.614364  1
  H  H135  1  1.076211  0.649434  0.618739  1
  H  H136  1  0.576211  0.649434  0.618739  1
  H  H137  1  0.989000  0.002429  0.579649  1
  H  H138  1  0.489000  0.002429  0.579649  1
  H  H139  1  0.922544  0.265698  0.577924  1
  H  H140  1  0.422544  0.265698  0.577924  1
  H  H141  1  0.761631  0.407895  0.614364  1
  H  H142  1  0.261631  0.407895  0.614364  1
  H  H143  1  0.826211  0.649434  0.618739  1
  H  H144  1  0.326211  0.649434  0.618739  1
  H  H145  1  1.140561  0.888035  0.620128  1
  H  H146  1  0.640561  0.888035  0.620128  1
  H  H147  1  1.076240  0.146425  0.615891  1
  H  H148  1  0.576240  0.146425  0.615891  1
  H  H149  1  0.914851  0.292780  0.651423  1
  H  H150  1  0.414851  0.292780  0.651423  1
  H  H151  1  0.980263  0.534285  0.656607  1
  H  H152  1  0.480263  0.534285  0.656607  1
  H  H153  1  0.890561  0.888035  0.620128  1
  H  H154  1  0.390561  0.888035  0.620128  1
  H  H155  1  0.826240  0.146425  0.615891  1
  H  H156  1  0.326240  0.146425  0.615891  1
  H  H157  1  0.664851  0.292780  0.651423  1
  H  H158  1  0.164851  0.292780  0.651423  1
  H  H159  1  0.730263  0.534285  0.656607  1
  H  H160  1  0.230263  0.534285  0.656607  1
  H  H161  1  1.045765  0.775094  0.661135  1
  H  H162  1  0.545765  0.775094  0.661135  1
  H  H163  1  0.977683  0.032375  0.654780  1
  H  H164  1  0.477683  0.032375  0.654780  1
  H  H165  1  0.818537  0.173800  0.689899  1
  H  H166  1  0.318537  0.173800  0.689899  1
  H  H167  1  0.884421  0.419094  0.694356  1
  H  H168  1  0.384421  0.419094  0.694356  1
  H  H169  1  0.795765  0.775094  0.661135  1
  H  H170  1  0.295765  0.775094  0.661135  1
  H  H171  1  0.727683  0.032375  0.654780  1
  H  H172  1  0.227683  0.032375  0.654780  1
  H  H173  1  0.568537  0.173800  0.689899  1
  H  H174  1  1.068537  0.173800  0.689899  1
  H  H175  1  0.634421  0.419094  0.694356  1
  H  H176  1  1.134421  0.419094  0.694356  1
