# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48542048
_cell_length_b   8.00908246
_cell_length_c   47.36704906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.50946397
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1687.0978042
_cell_formula_units_Z   40
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  0.240776  0.396060  0.325332  1
  H  H2  1  1.165138  0.663986  0.312818  1
  H  H3  1  1.101311  0.941613  0.302990  1
  H  H4  1  1.031821  0.222552  0.293229  1
  H  H5  1  0.740776  0.396060  0.325332  1
  H  H6  1  0.665138  0.663986  0.312818  1
  H  H7  1  0.601311  0.941613  0.302990  1
  H  H8  1  0.531821  0.222552  0.293229  1
  H  H9  1  1.010527  0.304182  0.366641  1
  H  H10  1  0.942565  0.578405  0.356144  1
  H  H11  1  0.871962  0.848665  0.345174  1
  H  H12  1  0.806400  0.121697  0.335309  1
  H  H13  1  0.510527  0.304182  0.366641  1
  H  H14  1  0.442565  0.578405  0.356144  1
  H  H15  1  0.371962  0.848665  0.345174  1
  H  H16  1  0.306400  0.121697  0.335309  1
  H  H17  1  0.781913  0.212554  0.408128  1
  H  H18  1  0.714858  0.486799  0.397903  1
  H  H19  1  0.646124  0.758680  0.387530  1
  H  H20  1  0.577481  0.030229  0.376831  1
  H  H21  1  0.281913  0.212554  0.408128  1
  H  H22  1  0.214858  0.486799  0.397903  1
  H  H23  1  1.146124  0.758680  0.387530  1
  H  H24  1  1.077481  0.030229  0.376831  1
  H  H25  1  0.555485  0.121738  0.449761  1
  H  H26  1  0.485175  0.395310  0.439492  1
  H  H27  1  0.419581  0.667937  0.430006  1
  H  H28  1  0.350285  0.939165  0.418921  1
  H  H29  1  1.055485  0.121738  0.449761  1
  H  H30  1  0.985175  0.395310  0.439492  1
  H  H31  1  0.919581  0.667937  0.430006  1
  H  H32  1  0.850285  0.939165  0.418921  1
  H  H33  1  0.326883  0.044440  0.492558  1
  H  H34  1  0.517067  0.308859  0.484879  1
  H  H35  1  0.194529  0.572708  0.472581  1
  H  H36  1  1.122924  0.849776  0.461496  1
  H  H37  1  0.826883  0.044440  0.492558  1
  H  H38  1  1.017067  0.308859  0.484879  1
  H  H39  1  0.694529  0.572708  0.472581  1
  H  H40  1  0.622924  0.849776  0.461496  1
  H  H41  1  0.347375  -0.020754  0.538911  1
  H  H42  1  0.275770  0.256314  0.527826  1
  H  H43  1  0.953233  0.520163  0.515528  1
  H  H44  1  1.143416  0.784582  0.507849  1
  H  H45  1  0.847375  -0.020754  0.538911  1
  H  H46  1  0.775770  0.256314  0.527826  1
  H  H47  1  0.453233  0.520163  0.515528  1
  H  H48  1  0.643416  0.784582  0.507849  1
  H  H49  1  1.120014  0.889857  0.581486  1
  H  H50  1  1.050718  0.161085  0.570401  1
  H  H51  1  0.985124  0.433712  0.560915  1
  H  H52  1  0.914814  0.707284  0.550646  1
  H  H53  1  0.620014  0.889857  0.581486  1
  H  H54  1  0.550718  0.161085  0.570401  1
  H  H55  1  0.485124  0.433712  0.560915  1
  H  H56  1  0.414814  0.707284  0.550646  1
  H  H57  1  0.892818  0.798793  0.623576  1
  H  H58  1  0.824175  0.070343  0.612877  1
  H  H59  1  0.755441  0.342223  0.602504  1
  H  H60  1  0.688386  0.616468  0.592279  1
  H  H61  1  0.392818  0.798793  0.623576  1
  H  H62  1  0.324175  0.070343  0.612877  1
  H  H63  1  0.255441  0.342223  0.602504  1
  H  H64  1  0.188386  0.616468  0.592279  1
  H  H65  1  0.663899  0.707325  0.665098  1
  H  H66  1  0.598337  -0.019643  0.655233  1
  H  H67  1  0.527734  0.250617  0.644263  1
  H  H68  1  0.459772  0.524840  0.633766  1
  H  H69  1  1.163899  0.707325  0.665098  1
  H  H70  1  1.098337  -0.019643  0.655233  1
  H  H71  1  1.027734  0.250617  0.644263  1
  H  H72  1  0.959772  0.524840  0.633766  1
  H  H73  1  0.438478  0.606470  0.707178  1
  H  H74  1  0.368988  0.887409  0.697417  1
  H  H75  1  0.305161  0.165036  0.687589  1
  H  H76  1  0.229523  0.432962  0.675075  1
  H  H77  1  0.938478  0.606470  0.707178  1
  H  H78  1  0.868988  0.887409  0.697417  1
  H  H79  1  0.805161  0.165036  0.687589  1
  H  H80  1  0.729523  0.432962  0.675075  1
