# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06050098
_cell_length_b   2.28320484
_cell_length_c   47.99689555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.59943940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   653.238381427
_cell_formula_units_Z   16
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  0.297447  0.306137  0.281705  1
  H  H2  1  0.657945  0.127912  0.296188  1
  H  H3  1  0.925504  0.494162  0.268839  1
  H  H4  1  0.389002  0.762992  0.323800  1
  H  H5  1  0.755303  0.580075  0.337350  1
  H  H6  1  0.025775  0.943684  0.310301  1
  H  H7  1  0.486381  0.215482  0.364858  1
  H  H8  1  0.851522  0.033321  0.378604  1
  H  H9  1  0.120588  0.397889  0.351251  1
  H  H10  1  0.582502  0.668669  0.406115  1
  H  H11  1  0.947913  0.486370  0.419856  1
  H  H12  1  0.217166  0.850876  0.392390  1
  H  H13  1  0.678756  0.121787  0.447361  1
  H  H14  1  0.044150  0.939508  0.461107  1
  H  H15  1  0.313338  0.304066  0.433623  1
  H  H16  1  0.774986  0.574926  0.488607  1
  H  H17  1  0.140393  0.392645  0.502352  1
  H  H18  1  0.409579  0.757207  0.474863  1
  H  H19  1  0.871216  0.028064  0.529853  1
  H  H20  1  0.236634  0.845786  0.543591  1
  H  H21  1  0.505822  0.210343  0.516107  1
  H  H22  1  0.967470  0.481183  0.571099  1
  H  H23  1  0.332806  0.298976  0.584824  1
  H  H24  1  0.602059  0.663481  0.557358  1
  H  H25  1  0.063591  0.934370  0.612356  1
  H  H26  1  0.429384  0.751962  0.625964  1
  H  H27  1  0.698450  0.116531  0.598610  1
  H  H28  1  0.160970  0.386859  0.653415  1
  H  H29  1  0.524197  0.206167  0.666913  1
  H  H30  1  0.794669  0.569777  0.639864  1
  H  H31  1  0.252525  0.843715  0.695509  1
  H  H32  1  0.624468  0.655690  0.708375  1
  H  H33  1  0.892027  0.021940  0.681026  1
