# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82308693
_cell_length_b   5.36419547
_cell_length_c   45.94764421
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.35979001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H96
_cell_volume   2612.72751917
_cell_formula_units_Z   48
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  0.810894  0.891057  0.319789  1
  H  H2  1  0.185432  0.145678  0.282752  1
  H  H3  1  0.498163  0.018368  0.301270  1
  H  H4  1  0.821961  0.780387  0.309841  1
  H  H5  1  0.134692  0.653076  0.328359  1
  H  H6  1  0.509230  0.907697  0.291322  1
  H  H7  1  0.654529  0.454713  0.310529  1
  H  H8  1  0.967260  0.327402  0.329048  1
  H  H9  1  0.341798  0.582023  0.292011  1
  H  H10  1  0.665596  0.344042  0.300582  1
  H  H11  1  0.978327  0.216732  0.319100  1
  H  H12  1  0.352865  0.471353  0.282063  1
  H  H13  1  0.749087  0.509126  0.375344  1
  H  H14  1  0.123625  0.763747  0.338307  1
  H  H15  1  0.436356  0.636436  0.356826  1
  H  H16  1  0.760154  0.398455  0.365397  1
  H  H17  1  0.072886  0.271145  0.383915  1
  H  H18  1  0.447423  0.525766  0.346878  1
  H  H19  1  0.592722  0.072781  0.366085  1
  H  H20  1  0.905453  0.945471  0.384603  1
  H  H21  1  0.279991  0.200092  0.347566  1
  H  H22  1  0.603789  0.962111  0.356137  1
  H  H23  1  0.916520  0.834800  0.374656  1
  H  H24  1  0.291058  0.089421  0.337619  1
  H  H25  1  0.687281  0.127195  0.430900  1
  H  H26  1  0.061818  0.381816  0.393863  1
  H  H27  1  0.374549  0.254505  0.412381  1
  H  H28  1  0.698348  0.016524  0.420952  1
  H  H29  1  0.011079  0.889214  0.439471  1
  H  H30  1  0.385617  0.143835  0.402434  1
  H  H31  1  0.530915  0.690850  0.421641  1
  H  H32  1  0.843646  0.563539  0.440159  1
  H  H33  1  0.218184  0.818160  0.403122  1
  H  H34  1  0.541982  0.580179  0.411693  1
  H  H35  1  0.854713  0.452869  0.430211  1
  H  H36  1  0.229251  0.707490  0.393174  1
  H  H37  1  0.625474  0.745263  0.486455  1
  H  H38  1  0.000012  0.999884  0.449418  1
  H  H39  1  0.312743  0.872574  0.467937  1
  H  H40  1  0.636541  0.634593  0.476508  1
  H  H41  1  0.949272  0.507282  0.495026  1
  H  H42  1  0.323810  0.761903  0.457989  1
  H  H43  1  0.469108  0.308918  0.477196  1
  H  H44  1  0.781839  0.181608  0.495715  1
  H  H45  1  0.156377  0.436229  0.458678  1
  H  H46  1  0.480175  0.198248  0.467248  1
  H  H47  1  0.792906  0.070937  0.485767  1
  H  H48  1  0.167444  0.325558  0.448730  1
  H  H49  1  0.563667  0.363332  0.542011  1
  H  H50  1  0.938205  0.617953  0.504974  1
  H  H51  1  0.250936  0.490642  0.523492  1
  H  H52  1  0.574734  0.252661  0.532063  1
  H  H53  1  0.887465  0.125351  0.550582  1
  H  H54  1  0.262003  0.379972  0.513545  1
  H  H55  1  0.407301  0.926987  0.532752  1
  H  H56  1  0.720032  0.799677  0.551270  1
  H  H57  1  0.094570  0.054298  0.514233  1
  H  H58  1  0.418368  0.816317  0.522804  1
  H  H59  1  0.731099  0.689006  0.541322  1
  H  H60  1  0.105637  0.943627  0.504285  1
  H  H61  1  0.501860  0.981400  0.597566  1
  H  H62  1  0.876398  0.236021  0.560529  1
  H  H63  1  0.189129  0.108711  0.579048  1
  H  H64  1  0.512927  0.870730  0.587619  1
  H  H65  1  0.825658  0.743419  0.606137  1
  H  H66  1  0.200196  0.998040  0.569100  1
  H  H67  1  0.345494  0.545056  0.588307  1
  H  H68  1  0.658225  0.417745  0.606826  1
  H  H69  1  0.032763  0.672366  0.569789  1
  H  H70  1  0.356561  0.434385  0.578359  1
  H  H71  1  0.669293  0.307075  0.596878  1
  H  H72  1  0.043830  0.561696  0.559841  1
  H  H73  1  0.440053  0.599469  0.653122  1
  H  H74  1  0.814591  0.854090  0.616085  1
  H  H75  1  0.127322  0.726780  0.634603  1
  H  H76  1  0.451120  0.488798  0.643174  1
  H  H77  1  0.763851  0.361488  0.661693  1
  H  H78  1  0.138389  0.616109  0.624656  1
  H  H79  1  0.283688  0.163124  0.643863  1
  H  H80  1  0.596419  0.035814  0.662381  1
  H  H81  1  0.970957  0.290435  0.625344  1
  H  H82  1  0.294755  0.052454  0.633915  1
  H  H83  1  0.607486  0.925143  0.652434  1
  H  H84  1  0.982024  0.179764  0.615397  1
  H  H85  1  0.378246  0.217538  0.708678  1
  H  H86  1  0.752784  0.472159  0.671641  1
  H  H87  1  0.065515  0.344848  0.690159  1
  H  H88  1  0.389313  0.106867  0.698730  1
  H  H89  1  0.702044  0.979557  0.717248  1
  H  H90  1  0.076582  0.234178  0.680211  1
  H  H91  1  0.221881  0.781193  0.699418  1
  H  H92  1  0.534612  0.653882  0.717937  1
  H  H93  1  0.909150  0.908503  0.680900  1
  H  H94  1  0.232948  0.670522  0.689471  1
  H  H95  1  0.545679  0.543212  0.707989  1
  H  H96  1  0.920217  0.797833  0.670952  1
