# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58208392
_cell_length_b   5.86930876
_cell_length_c   64.17698447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.46047564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H84
_cell_volume   1706.81983242
_cell_formula_units_Z   42
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  0.330386  0.831502  0.143163  1
  H  H2  1  0.830386  0.831502  0.143163  1
  H  H3  1  0.162271  0.525684  0.159862  1
  H  H4  1  0.662271  0.525684  0.159862  1
  H  H5  1  0.992756  0.183131  0.151128  1
  H  H6  1  0.492756  0.183131  0.151128  1
  H  H7  1  1.063601  0.886723  0.175292  1
  H  H8  1  0.563601  0.886723  0.175292  1
  H  H9  1  0.898963  0.577613  0.191630  1
  H  H10  1  0.398963  0.577613  0.191630  1
  H  H11  1  0.731014  0.231081  0.183409  1
  H  H12  1  0.231014  0.231081  0.183409  1
  H  H13  1  0.798411  0.937616  0.206920  1
  H  H14  1  0.298411  0.937616  0.206920  1
  H  H15  1  0.634677  0.629522  0.223442  1
  H  H16  1  1.134677  0.629522  0.223442  1
  H  H17  1  0.466176  0.283704  0.215145  1
  H  H18  1  0.966176  0.283704  0.215145  1
  H  H19  1  0.532934  0.989833  0.238704  1
  H  H20  1  1.032934  0.989833  0.238704  1
  H  H21  1  0.369849  0.681669  0.255285  1
  H  H22  1  0.869849  0.681669  0.255285  1
  H  H23  1  0.201292  0.335752  0.246983  1
  H  H24  1  0.701292  0.335752  0.246983  1
  H  H25  1  0.267810  0.041919  0.270527  1
  H  H26  1  0.767810  0.041919  0.270527  1
  H  H27  1  1.104901  0.733774  0.287124  1
  H  H28  1  0.604901  0.733774  0.287124  1
  H  H29  1  0.936332  0.387851  0.278821  1
  H  H30  1  0.436332  0.387851  0.278821  1
  H  H31  1  1.002786  0.094009  0.302358  1
  H  H32  1  0.502786  0.094009  0.302358  1
  H  H33  1  0.839925  0.785869  0.318962  1
  H  H34  1  0.339925  0.785869  0.318962  1
  H  H35  1  0.671351  0.439939  0.310658  1
  H  H36  1  0.171351  0.439939  0.310658  1
  H  H37  1  0.737791  0.146094  0.334192  1
  H  H38  1  0.237791  0.146094  0.334192  1
  H  H39  1  0.574941  0.837957  0.350798  1
  H  H40  1  1.074941  0.837957  0.350798  1
  H  H41  1  0.406365  0.492026  0.342495  1
  H  H42  1  0.906365  0.492026  0.342495  1
  H  H43  1  0.472803  0.198180  0.366028  1
  H  H44  1  0.972803  0.198180  0.366028  1
  H  H45  1  0.309953  0.890043  0.382633  1
  H  H46  1  0.809953  0.890043  0.382633  1
  H  H47  1  1.141379  0.544112  0.374331  1
  H  H48  1  0.641379  0.544112  0.374331  1
  H  H49  1  0.207819  0.250268  0.397864  1
  H  H50  1  0.707819  0.250268  0.397864  1
  H  H51  1  1.044958  0.942129  0.414468  1
  H  H52  1  0.544958  0.942129  0.414468  1
  H  H53  1  0.876393  0.596198  0.406167  1
  H  H54  1  0.376393  0.596198  0.406167  1
  H  H55  1  0.942842  0.302363  0.429701  1
  H  H56  1  0.442842  0.302363  0.429701  1
  H  H57  1  0.779934  0.994219  0.446299  1
  H  H58  1  0.279934  0.994219  0.446299  1
  H  H59  1  0.611412  0.648287  0.438004  1
  H  H60  1  1.111412  0.648287  0.438004  1
  H  H61  1  0.677894  0.354468  0.461541  1
  H  H62  1  0.177894  0.354468  0.461541  1
  H  H63  1  0.514810  0.046305  0.478122  1
  H  H64  1  1.014810  0.046305  0.478122  1
  H  H65  1  0.346451  0.700385  0.469843  1
  H  H66  1  0.846451  0.700385  0.469843  1
  H  H67  1  0.413066  0.406615  0.493383  1
  H  H68  1  0.913066  0.406615  0.493383  1
  H  H69  1  0.249333  0.098522  0.509906  1
  H  H70  1  0.749333  0.098522  0.509906  1
  H  H71  1  1.081568  0.752434  0.501681  1
  H  H72  1  0.581568  0.752434  0.501681  1
  H  H73  1  1.148781  0.458524  0.525196  1
  H  H74  1  0.648781  0.458524  0.525196  1
  H  H75  1  0.984143  0.149415  0.541534  1
  H  H76  1  0.484143  0.149415  0.541534  1
  H  H77  1  0.816730  0.805057  0.533417  1
  H  H78  1  0.316730  0.805057  0.533417  1
  H  H79  1  0.885473  0.510454  0.556964  1
  H  H80  1  0.385473  0.510454  0.556964  1
  H  H81  1  0.717358  0.204636  0.573662  1
  H  H82  1  0.217358  0.204636  0.573662  1
  H  H83  1  0.554987  0.853006  0.565698  1
  H  H84  1  1.054987  0.853006  0.565698  1
