# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62475240
_cell_length_b   8.76706798
_cell_length_c   62.21978966
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.67605093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H112
_cell_volume   2360.24865538
_cell_formula_units_Z   56
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  1.096522  0.983114  0.174496  1
  H  H2  1  0.596522  0.983114  0.174496  1
  H  H3  1  0.721522  0.733114  0.174496  1
  H  H4  1  0.221522  0.733114  0.174496  1
  H  H5  1  0.346522  0.483114  0.174496  1
  H  H6  1  0.846522  0.483114  0.174496  1
  H  H7  1  0.971522  0.233114  0.174496  1
  H  H8  1  0.471522  0.233114  0.174496  1
  H  H9  1  0.779166  0.903604  0.205231  1
  H  H10  1  0.279166  0.903604  0.205231  1
  H  H11  1  0.404166  0.653604  0.205231  1
  H  H12  1  0.904166  0.653604  0.205231  1
  H  H13  1  1.029166  0.403604  0.205231  1
  H  H14  1  0.529166  0.403604  0.205231  1
  H  H15  1  0.654166  0.153604  0.205231  1
  H  H16  1  1.154166  0.153604  0.205231  1
  H  H17  1  0.465361  0.829528  0.235555  1
  H  H18  1  0.965361  0.829528  0.235555  1
  H  H19  1  1.090361  0.579528  0.235555  1
  H  H20  1  0.590361  0.579528  0.235555  1
  H  H21  1  0.715361  0.329528  0.235555  1
  H  H22  1  0.215361  0.329528  0.235555  1
  H  H23  1  0.340361  0.079528  0.235555  1
  H  H24  1  0.840361  0.079528  0.235555  1
  H  H25  1  1.150106  0.754053  0.265979  1
  H  H26  1  0.650106  0.754053  0.265979  1
  H  H27  1  0.775106  0.504053  0.265979  1
  H  H28  1  0.275106  0.504053  0.265979  1
  H  H29  1  0.400106  0.254053  0.265979  1
  H  H30  1  0.900106  0.254053  0.265979  1
  H  H31  1  1.025106  1.004053  0.265979  1
  H  H32  1  0.525106  1.004053  0.265979  1
  H  H33  1  0.835248  0.678940  0.296413  1
  H  H34  1  0.335248  0.678940  0.296413  1
  H  H35  1  0.460248  0.428940  0.296413  1
  H  H36  1  0.960248  0.428940  0.296413  1
  H  H37  1  1.085248  0.178940  0.296413  1
  H  H38  1  0.585248  0.178940  0.296413  1
  H  H39  1  0.710248  0.928940  0.296413  1
  H  H40  1  0.210248  0.928940  0.296413  1
  H  H41  1  0.520245  0.603712  0.326845  1
  H  H42  1  1.020245  0.603712  0.326845  1
  H  H43  1  1.145245  0.353712  0.326845  1
  H  H44  1  0.645245  0.353712  0.326845  1
  H  H45  1  0.770245  0.103712  0.326845  1
  H  H46  1  0.270245  0.103712  0.326845  1
  H  H47  1  0.395245  0.853712  0.326845  1
  H  H48  1  0.895245  0.853712  0.326845  1
  H  H49  1  0.205291  0.528523  0.357278  1
  H  H50  1  0.705291  0.528523  0.357278  1
  H  H51  1  0.830291  0.278523  0.357278  1
  H  H52  1  0.330291  0.278523  0.357278  1
  H  H53  1  0.455291  0.028523  0.357278  1
  H  H54  1  0.955291  0.028523  0.357278  1
  H  H55  1  1.080291  0.778523  0.357278  1
  H  H56  1  0.580291  0.778523  0.357278  1
  H  H57  1  0.890317  0.453317  0.387710  1
  H  H58  1  0.390317  0.453317  0.387710  1
  H  H59  1  0.515317  0.203317  0.387710  1
  H  H60  1  1.015317  0.203317  0.387710  1
  H  H61  1  1.140317  0.953317  0.387710  1
  H  H62  1  0.640317  0.953317  0.387710  1
  H  H63  1  0.765317  0.703317  0.387710  1
  H  H64  1  0.265317  0.703317  0.387710  1
  H  H65  1  0.575364  0.378128  0.418142  1
  H  H66  1  1.075364  0.378128  0.418142  1
  H  H67  1  0.200364  0.128128  0.418142  1
  H  H68  1  0.700364  0.128128  0.418142  1
  H  H69  1  0.825364  0.878128  0.418142  1
  H  H70  1  0.325364  0.878128  0.418142  1
  H  H71  1  0.450364  0.628128  0.418142  1
  H  H72  1  0.950364  0.628128  0.418142  1
  H  H73  1  0.260360  0.302900  0.448574  1
  H  H74  1  0.760360  0.302900  0.448574  1
  H  H75  1  0.885360  0.052900  0.448574  1
  H  H76  1  0.385360  0.052900  0.448574  1
  H  H77  1  0.510360  0.802900  0.448574  1
  H  H78  1  1.010360  0.802900  0.448574  1
  H  H79  1  1.135360  0.552900  0.448574  1
  H  H80  1  0.635360  0.552900  0.448574  1
  H  H81  1  0.945502  0.227786  0.479008  1
  H  H82  1  0.445502  0.227786  0.479008  1
  H  H83  1  0.570502  0.977786  0.479008  1
  H  H84  1  1.070502  0.977786  0.479008  1
  H  H85  1  0.195502  0.727786  0.479008  1
  H  H86  1  0.695502  0.727786  0.479008  1
  H  H87  1  0.820502  0.477786  0.479008  1
  H  H88  1  0.320502  0.477786  0.479008  1
  H  H89  1  0.630248  0.152311  0.509433  1
  H  H90  1  1.130248  0.152311  0.509433  1
  H  H91  1  0.255248  0.902311  0.509433  1
  H  H92  1  0.755248  0.902311  0.509433  1
  H  H93  1  0.880248  0.652311  0.509433  1
  H  H94  1  0.380248  0.652311  0.509433  1
  H  H95  1  0.505248  0.402311  0.509433  1
  H  H96  1  1.005248  0.402311  0.509433  1
  H  H97  1  0.316443  0.078235  0.539756  1
  H  H98  1  0.816443  0.078235  0.539756  1
  H  H99  1  0.941443  0.828235  0.539756  1
  H  H100  1  0.441443  0.828235  0.539756  1
  H  H101  1  0.566443  0.578235  0.539756  1
  H  H102  1  1.066443  0.578235  0.539756  1
  H  H103  1  0.191443  0.328235  0.539756  1
  H  H104  1  0.691443  0.328235  0.539756  1
  H  H105  1  0.999086  0.998725  0.570491  1
  H  H106  1  0.499086  0.998725  0.570491  1
  H  H107  1  0.624086  0.748725  0.570491  1
  H  H108  1  1.124086  0.748725  0.570491  1
  H  H109  1  0.249086  0.498725  0.570491  1
  H  H110  1  0.749086  0.498725  0.570491  1
  H  H111  1  0.874086  0.248725  0.570491  1
  H  H112  1  0.374086  0.248725  0.570491  1
