# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69286559
_cell_length_b   7.44478060
_cell_length_c   50.67385121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.52156118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H88
_cell_volume   1759.10515342
_cell_formula_units_Z   44
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  1.072077  0.121656  0.260333  1
  H  H2  1  0.572077  0.621656  0.260333  1
  H  H3  1  0.612108  0.144527  0.240246  1
  H  H4  1  1.112108  0.644527  0.240246  1
  H  H5  1  0.822077  0.871656  0.260333  1
  H  H6  1  0.322077  0.371656  0.260333  1
  H  H7  1  0.362108  0.894527  0.240246  1
  H  H8  1  0.862108  0.394527  0.240246  1
  H  H9  1  0.935884  0.032247  0.302086  1
  H  H10  1  0.435884  0.532247  0.302086  1
  H  H11  1  0.494329  0.067196  0.282538  1
  H  H12  1  0.994329  0.567196  0.282538  1
  H  H13  1  0.685884  0.782247  0.302086  1
  H  H14  1  0.185884  0.282247  0.302086  1
  H  H15  1  0.244329  0.817196  0.282538  1
  H  H16  1  0.744329  0.317196  0.282538  1
  H  H17  1  0.800556  0.945331  0.343771  1
  H  H18  1  0.300556  0.445331  0.343771  1
  H  H19  1  0.361466  -0.017589  0.323655  1
  H  H20  1  0.861466  0.482411  0.323655  1
  H  H21  1  0.550556  0.695331  0.343771  1
  H  H22  1  1.050556  0.195331  0.343771  1
  H  H23  1  1.111466  0.732411  0.323655  1
  H  H24  1  0.611466  0.232411  0.323655  1
  H  H25  1  0.666507  0.859919  0.385465  1
  H  H26  1  0.166507  0.359919  0.385465  1
  H  H27  1  0.229720  0.899101  0.365120  1
  H  H28  1  0.729720  0.399101  0.365120  1
  H  H29  1  0.416507  0.609919  0.385465  1
  H  H30  1  0.916507  0.109919  0.385465  1
  H  H31  1  0.979720  0.649101  0.365120  1
  H  H32  1  0.479720  0.149101  0.365120  1
  H  H33  1  0.532723  0.774822  0.427092  1
  H  H34  1  1.032723  0.274822  0.427092  1
  H  H35  1  1.096928  0.814881  0.406626  1
  H  H36  1  0.596928  0.314881  0.406626  1
  H  H37  1  0.282723  0.524822  0.427092  1
  H  H38  1  0.782723  0.024822  0.427092  1
  H  H39  1  0.846928  0.564881  0.406626  1
  H  H40  1  0.346928  0.064881  0.406626  1
  H  H41  1  0.399294  0.690100  0.468681  1
  H  H42  1  0.899294  0.190100  0.468681  1
  H  H43  1  0.963801  0.730428  0.448177  1
  H  H44  1  0.463801  0.230428  0.448177  1
  H  H45  1  0.149294  0.440100  0.468681  1
  H  H46  1  0.649294  0.940100  0.468681  1
  H  H47  1  0.713801  0.480428  0.448177  1
  H  H48  1  0.213801  -0.019572  0.448177  1
  H  H49  1  0.266168  0.605647  0.510233  1
  H  H50  1  0.766168  0.105647  0.510233  1
  H  H51  1  0.830373  0.645705  0.489767  1
  H  H52  1  0.330373  0.145705  0.489767  1
  H  H53  1  1.016168  0.355647  0.510233  1
  H  H54  1  0.516168  0.855647  0.510233  1
  H  H55  1  0.580373  0.395705  0.489767  1
  H  H56  1  1.080373  0.895705  0.489767  1
  H  H57  1  1.133375  0.521426  0.551738  1
  H  H58  1  0.633375  0.021426  0.551738  1
  H  H59  1  0.696588  0.560608  0.531393  1
  H  H60  1  0.196588  0.060608  0.531393  1
  H  H61  1  0.883375  0.271426  0.551738  1
  H  H62  1  0.383375  0.771426  0.551738  1
  H  H63  1  0.446588  0.310608  0.531393  1
  H  H64  1  0.946588  0.810608  0.531393  1
  H  H65  1  1.001629  0.438116  0.593203  1
  H  H66  1  0.501629  0.938116  0.593203  1
  H  H67  1  0.562539  0.475196  0.573087  1
  H  H68  1  1.062539  -0.024804  0.573087  1
  H  H69  1  0.751629  0.188116  0.593203  1
  H  H70  1  0.251629  0.688116  0.593203  1
  H  H71  1  0.312539  0.225196  0.573087  1
  H  H72  1  0.812539  0.725196  0.573087  1
  H  H73  1  0.868766  0.353331  0.634320  1
  H  H74  1  0.368766  0.853331  0.634320  1
  H  H75  1  0.427211  0.388280  0.614772  1
  H  H76  1  0.927211  0.888280  0.614772  1
  H  H77  1  0.618766  0.103331  0.634320  1
  H  H78  1  1.118766  0.603331  0.634320  1
  H  H79  1  0.177211  0.138280  0.614772  1
  H  H80  1  0.677211  0.638280  0.614772  1
  H  H81  1  0.750987  0.276000  0.676612  1
  H  H82  1  0.250987  0.776000  0.676612  1
  H  H83  1  0.291018  0.298871  0.656526  1
  H  H84  1  0.791018  0.798871  0.656526  1
  H  H85  1  0.500987  0.026000  0.676612  1
  H  H86  1  1.000987  0.526000  0.676612  1
  H  H87  1  1.041018  0.048871  0.656526  1
  H  H88  1  0.541018  0.548871  0.656526  1
