# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.22835647
_cell_length_b   15.11588049
_cell_length_c   51.64949365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H80
_cell_volume   1739.73933846
_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  0.247272  0.498258  0.267648  1
  H  H2  1  0.247272  1.004545  0.247121  1
  H  H3  1  0.747272  0.115551  0.273359  1
  H  H4  1  0.747272  0.634292  0.252382  1
  H  H5  1  0.247272  0.248164  0.257502  1
  H  H6  1  0.247272  0.768082  0.236867  1
  H  H7  1  0.747272  0.362149  0.283261  1
  H  H8  1  0.747272  0.874071  0.263486  1
  H  H9  1  0.247272  0.471772  0.310731  1
  H  H10  1  0.247272  0.982779  0.290417  1
  H  H11  1  0.747272  0.093079  0.316450  1
  H  H12  1  0.747272  0.606682  0.295292  1
  H  H13  1  0.247272  0.226636  0.300509  1
  H  H14  1  0.247272  0.740757  0.279945  1
  H  H15  1  0.747272  0.337417  0.326511  1
  H  H16  1  0.747272  0.849512  0.306318  1
  H  H17  1  0.247272  0.446240  0.353598  1
  H  H18  1  0.247272  0.959004  0.332953  1
  H  H19  1  0.747272  0.068867  0.359352  1
  H  H20  1  0.747272  0.580391  0.337897  1
  H  H21  1  0.247272  0.203032  0.343105  1
  H  H22  1  0.247272  0.715060  0.322321  1
  H  H23  1  0.747272  0.312583  0.369637  1
  H  H24  1  0.747272  0.824548  0.349010  1
  H  H25  1  0.247272  0.421650  0.396574  1
  H  H26  1  0.247272  0.934281  0.375627  1
  H  H27  1  0.747272  1.044030  0.402157  1
  H  H28  1  0.747272  0.555497  0.380696  1
  H  H29  1  0.247272  0.178455  0.385946  1
  H  H30  1  0.247272  0.689835  0.364927  1
  H  H31  1  0.747272  0.287834  0.412624  1
  H  H32  1  0.747272  0.799560  0.391689  1
  H  H33  1  0.247272  0.397067  0.439511  1
  H  H34  1  0.247272  0.909321  0.418329  1
  H  H35  1  0.747272  1.019058  0.444915  1
  H  H36  1  0.747272  0.530902  0.423561  1
  H  H37  1  0.247272  0.153621  0.428778  1
  H  H38  1  0.247272  0.665011  0.407649  1
  H  H39  1  0.747272  0.263104  0.455514  1
  H  H40  1  0.747272  0.774649  0.434413  1
  H  H41  1  0.247272  0.372490  0.482412  1
  H  H42  1  0.247272  0.884333  0.461058  1
  H  H43  1  0.747272  0.994071  0.487644  1
  H  H44  1  0.747272  0.506325  0.466461  1
  H  H45  1  0.247272  0.128742  0.471560  1
  H  H46  1  0.247272  0.640288  0.450459  1
  H  H47  1  0.747272  0.238381  0.498324  1
  H  H48  1  0.747272  0.749770  0.477195  1
  H  H49  1  0.247272  0.347895  0.525276  1
  H  H50  1  0.247272  0.859362  0.503816  1
  H  H51  1  0.747272  0.969111  0.530346  1
  H  H52  1  0.747272  0.481742  0.509399  1
  H  H53  1  0.247272  0.103832  0.514284  1
  H  H54  1  0.247272  0.615557  0.493348  1
  H  H55  1  0.747272  0.213557  0.541046  1
  H  H56  1  0.747272  0.724936  0.520026  1
  H  H57  1  0.247272  0.323001  0.568076  1
  H  H58  1  0.247272  0.834524  0.546621  1
  H  H59  1  0.747272  0.944388  0.573020  1
  H  H60  1  0.747272  0.457151  0.552375  1
  H  H61  1  0.247272  0.078843  0.556963  1
  H  H62  1  0.247272  0.590809  0.536336  1
  H  H63  1  0.747272  0.188331  0.583652  1
  H  H64  1  0.747272  0.700360  0.562867  1
  H  H65  1  0.247272  0.296709  0.610680  1
  H  H66  1  0.247272  0.810312  0.589522  1
  H  H67  1  0.747272  0.920613  0.615555  1
  H  H68  1  0.747272  0.431619  0.595241  1
  H  H69  1  0.247272  1.053879  0.599654  1
  H  H70  1  0.247272  0.565975  0.579462  1
  H  H71  1  0.747272  0.162634  0.626028  1
  H  H72  1  0.747272  0.676756  0.605464  1
  H  H73  1  0.247272  0.269099  0.653590  1
  H  H74  1  0.247272  0.787840  0.632614  1
  H  H75  1  0.747272  0.898847  0.658851  1
  H  H76  1  0.747272  0.405133  0.638325  1
  H  H77  1  0.247272  1.029320  0.642486  1
  H  H78  1  0.247272  0.541242  0.622711  1
  H  H79  1  0.747272  0.135310  0.669106  1
  H  H80  1  0.747272  0.655227  0.648470  1
