# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07552259
_cell_length_b   6.03158291
_cell_length_c   44.61150236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   44.38112004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   1896.21975416
_cell_formula_units_Z   45
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  0.136552  0.298172  0.333251  1
  H  H2  1  0.420080  0.549250  0.345694  1
  H  H3  1  0.208558  0.563685  0.317951  1
  H  H4  1  0.738412  0.284672  0.343973  1
  H  H5  1  0.480238  0.841919  0.328477  1
  H  H6  1  0.261403  0.869650  0.303778  1
  H  H7  1  0.810767  0.556450  0.329104  1
  H  H8  1  0.549449  0.131724  0.314555  1
  H  H9  1  0.881807  0.841204  0.315656  1
  H  H10  1  -0.048636  0.444715  0.375678  1
  H  H11  1  0.231874  0.694305  0.387130  1
  H  H12  1  0.012357  0.729775  0.362213  1
  H  H13  1  0.566428  0.423846  0.390129  1
  H  H14  1  0.298724  0.972572  0.374087  1
  H  H15  1  0.066591  0.017816  0.345766  1
  H  H16  1  0.623531  0.709439  0.374389  1
  H  H17  1  0.363268  0.254166  0.359902  1
  H  H18  1  0.689804  0.985718  0.360772  1
  H  H19  1  0.769644  0.598141  0.419012  1
  H  H20  1  0.054187  0.833269  0.430128  1
  H  H21  1  0.830498  0.880515  0.405743  1
  H  H22  1  0.370534  0.594783  0.431379  1
  H  H23  1  0.113575  0.121164  0.416768  1
  H  H24  1  0.886642  0.168207  0.389871  1
  H  H25  1  0.444712  0.861586  0.419360  1
  H  H26  1  0.174075  0.403017  0.402446  1
  H  H27  1  0.504371  0.143664  0.404563  1
  H  H28  1  0.601213  0.753835  0.463986  1
  H  H29  1  0.897362  0.939449  0.472589  1
  H  H30  1  0.647410  0.041964  0.449739  1
  H  H31  1  0.189611  0.755561  0.477814  1
  H  H32  1  0.939975  0.250551  0.460179  1
  H  H33  1  0.708019  0.320964  0.435165  1
  H  H34  1  0.262628  0.026647  0.462481  1
  H  H35  1  -0.011771  0.544929  0.446510  1
  H  H36  1  0.311841  0.314234  0.446674  1
  H  H37  1  0.465636  0.874616  0.509609  1
  H  H38  1  0.697386  0.019895  0.502637  1
  H  H39  1  0.421127  0.252900  0.491489  1
  H  H40  1  0.000513  0.985452  0.520318  1
  H  H41  1  0.727789  0.364255  0.499480  1
  H  H42  1  0.495857  0.513207  0.474855  1
  H  H43  1  0.172368  0.073598  0.510346  1
  H  H44  1  0.867516  0.529335  0.499556  1
  H  H45  1  0.128478  0.461809  0.492255  1
  H  H46  1  0.293897  0.097243  0.552499  1
  H  H47  1  0.554860  0.029718  0.545197  1
  H  H48  1  0.250008  0.485454  0.534407  1
  H  H49  1  0.926518  0.045845  0.569898  1
  H  H50  1  0.694587  0.194798  0.545273  1
  H  H51  1  0.421862  0.573601  0.524435  1
  H  H52  1  0.001249  0.306152  0.553264  1
  H  H53  1  0.724990  0.539158  0.542116  1
  H  H54  1  -0.043260  0.684436  0.535144  1
  H  H55  1  0.110534  0.244818  0.598079  1
  H  H56  1  0.434146  0.014123  0.598244  1
  H  H57  1  0.159748  0.532405  0.582273  1
  H  H58  1  0.714357  0.238088  0.609588  1
  H  H59  1  0.482400  0.308501  0.584574  1
  H  H60  1  0.232764  0.803491  0.566939  1
  H  H61  1  0.774966  0.517088  0.595015  1
  H  H62  1  0.525013  0.619604  0.572164  1
  H  H63  1  0.821163  0.805218  0.580767  1
  H  H64  1  0.918005  0.415388  0.640190  1
  H  H65  1  0.248300  0.156035  0.642308  1
  H  H66  1  -0.022336  0.697466  0.625393  1
  H  H67  1  0.535734  0.390846  0.654883  1
  H  H68  1  0.308800  0.437888  0.627985  1
  H  H69  1  0.051841  0.964269  0.613374  1
  H  H70  1  0.591877  0.678537  0.639011  1
  H  H71  1  0.368189  0.725783  0.614626  1
  H  H72  1  0.652732  0.960911  0.625741  1
  H  H73  1  0.732572  0.573334  0.683981  1
  H  H74  1  0.059107  0.304887  0.684852  1
  H  H75  1  0.798844  0.849613  0.670364  1
  H  H76  1  0.355784  0.541236  0.698987  1
  H  H77  1  0.123651  0.586480  0.670667  1
  H  H78  1  0.855948  0.135206  0.654624  1
  H  H79  1  0.410018  0.829277  0.682540  1
  H  H80  1  0.190502  0.864747  0.657624  1
  H  H81  1  0.471012  0.114337  0.669076  1
  H  H82  1  0.540569  0.717848  0.729098  1
  H  H83  1  0.872927  0.427328  0.730199  1
  H  H84  1  0.611608  1.002603  0.715649  1
  H  H85  1  0.160973  0.689402  0.740976  1
  H  H86  1  0.942138  0.717134  0.716276  1
  H  H87  1  0.683964  0.274380  0.700780  1
  H  H88  1  0.213818  0.995367  0.726803  1
  H  H89  1  0.002296  0.009802  0.699060  1
  H  H90  1  0.285823  0.260881  0.711503  1
