# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53276364
_cell_length_b   5.76663938
_cell_length_c   45.56605521
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   63.91122219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H92
_cell_volume   1541.67384815
_cell_formula_units_Z   46
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  0.034542  0.230208  0.290393  1
  H  H2  1  0.584058  0.205537  0.280589  1
  H  H3  1  0.034542  0.730208  0.290393  1
  H  H4  1  0.584058  0.705537  0.280589  1
  H  H5  1  0.945448  0.274599  0.308033  1
  H  H6  1  0.494964  0.249928  0.298229  1
  H  H7  1  0.945448  0.774599  0.308033  1
  H  H8  1  0.494964  0.749928  0.298229  1
  H  H9  1  0.840032  0.327122  0.328905  1
  H  H10  1  0.389548  0.302450  0.319101  1
  H  H11  1  0.840032  0.827122  0.328905  1
  H  H12  1  0.389548  0.802450  0.319101  1
  H  H13  1  0.743368  0.375284  0.348044  1
  H  H14  1  0.292884  0.350613  0.338240  1
  H  H15  1  0.743368  0.875284  0.348044  1
  H  H16  1  0.292884  0.850613  0.338240  1
  H  H17  1  0.643099  0.425243  0.367896  1
  H  H18  1  0.192615  0.400571  0.358092  1
  H  H19  1  0.643099  0.925243  0.367896  1
  H  H20  1  0.192615  0.900571  0.358092  1
  H  H21  1  0.544566  0.474336  0.387405  1
  H  H22  1  0.094082  0.449665  0.377601  1
  H  H23  1  0.544566  0.974336  0.387405  1
  H  H24  1  0.094082  0.949665  0.377601  1
  H  H25  1  0.445244  0.523822  0.407070  1
  H  H26  1  0.994761  0.499151  0.397266  1
  H  H27  1  0.445244  0.023822  0.407070  1
  H  H28  1  0.994761  0.999151  0.397266  1
  H  H29  1  0.346292  0.573125  0.426662  1
  H  H30  1  0.895808  0.548454  0.416858  1
  H  H31  1  0.346292  0.073125  0.426662  1
  H  H32  1  0.895808  0.048454  0.416858  1
  H  H33  1  0.247170  0.622512  0.446288  1
  H  H34  1  0.796686  0.597841  0.436484  1
  H  H35  1  0.247170  0.122512  0.446288  1
  H  H36  1  0.796686  0.097841  0.436484  1
  H  H37  1  0.148126  0.671860  0.465898  1
  H  H38  1  0.697642  0.647189  0.456094  1
  H  H39  1  0.148126  0.171860  0.465898  1
  H  H40  1  0.697642  0.147189  0.456094  1
  H  H41  1  0.049047  0.721226  0.485515  1
  H  H42  1  0.598563  0.696555  0.475711  1
  H  H43  1  0.049047  0.221226  0.485515  1
  H  H44  1  0.598563  0.196555  0.475711  1
  H  H45  1  0.949981  0.770585  0.505129  1
  H  H46  1  0.499497  0.745914  0.495326  1
  H  H47  1  0.949981  0.270585  0.505129  1
  H  H48  1  0.499497  0.245914  0.495326  1
  H  H49  1  0.850915  0.819944  0.524744  1
  H  H50  1  0.400431  0.795273  0.514940  1
  H  H51  1  0.850915  0.319944  0.524744  1
  H  H52  1  0.400431  0.295273  0.514940  1
  H  H53  1  0.751836  0.869310  0.544361  1
  H  H54  1  0.301352  0.844638  0.534557  1
  H  H55  1  0.751836  0.369310  0.544361  1
  H  H56  1  0.301352  0.344638  0.534557  1
  H  H57  1  0.652792  0.918658  0.563971  1
  H  H58  1  0.202308  0.893986  0.554167  1
  H  H59  1  0.652792  0.418658  0.563971  1
  H  H60  1  0.202308  0.393986  0.554167  1
  H  H61  1  0.553670  0.968045  0.583597  1
  H  H62  1  0.103186  0.943374  0.573793  1
  H  H63  1  0.553670  0.468045  0.583597  1
  H  H64  1  0.103186  0.443374  0.573793  1
  H  H65  1  0.454717  0.017347  0.603189  1
  H  H66  1  0.004234  0.992676  0.593385  1
  H  H67  1  0.454717  0.517347  0.603189  1
  H  H68  1  0.004234  0.492676  0.593385  1
  H  H69  1  0.355396  0.066834  0.622854  1
  H  H70  1  0.904912  0.042163  0.613050  1
  H  H71  1  0.355396  0.566834  0.622854  1
  H  H72  1  0.904912  0.542163  0.613050  1
  H  H73  1  0.256863  0.115927  0.642363  1
  H  H74  1  0.806379  0.091256  0.632559  1
  H  H75  1  0.256863  0.615927  0.642363  1
  H  H76  1  0.806379  0.591256  0.632559  1
  H  H77  1  0.156594  0.165886  0.662215  1
  H  H78  1  0.706110  0.141215  0.652411  1
  H  H79  1  0.156594  0.665886  0.662215  1
  H  H80  1  0.706110  0.641215  0.652411  1
  H  H81  1  0.059930  0.214048  0.681354  1
  H  H82  1  0.609446  0.189377  0.671550  1
  H  H83  1  0.059930  0.714048  0.681354  1
  H  H84  1  0.609446  0.689377  0.671550  1
  H  H85  1  0.954514  0.266571  0.702226  1
  H  H86  1  0.504030  0.241900  0.692422  1
  H  H87  1  0.954514  0.766571  0.702226  1
  H  H88  1  0.504030  0.741900  0.692422  1
  H  H89  1  0.865420  0.310962  0.719866  1
  H  H90  1  0.414936  0.286290  0.710062  1
  H  H91  1  0.865420  0.810962  0.719866  1
  H  H92  1  0.414936  0.786290  0.710062  1
