# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84844553
_cell_length_b   6.91607202
_cell_length_c   48.40294683
_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   H48
_cell_volume   1288.2989546
_cell_formula_units_Z   24
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  0.571763  0.024282  0.353586  1
  H  H2  1  0.928237  0.769314  0.317872  1
  H  H3  1  0.071763  0.820098  0.324985  1
  H  H4  1  0.428237  0.565130  0.289271  1
  H  H5  1  0.571763  0.524282  0.353586  1
  H  H6  1  0.928237  0.269314  0.317872  1
  H  H7  1  0.071763  0.320098  0.324985  1
  H  H8  1  0.428237  0.065130  0.289271  1
  H  H9  1  0.571763  0.534216  0.425015  1
  H  H10  1  0.928237  0.279249  0.389300  1
  H  H11  1  0.071763  0.330032  0.396414  1
  H  H12  1  0.428237  0.075065  0.360700  1
  H  H13  1  0.571763  0.034216  0.425015  1
  H  H14  1  0.928237  0.779249  0.389300  1
  H  H15  1  0.071763  0.830032  0.396414  1
  H  H16  1  0.428237  0.575065  0.360700  1
  H  H17  1  0.571763  0.044151  0.496443  1
  H  H18  1  0.928237  0.789184  0.460729  1
  H  H19  1  0.071763  0.839967  0.467842  1
  H  H20  1  0.428237  0.585000  0.432128  1
  H  H21  1  0.571763  0.544151  0.496443  1
  H  H22  1  0.928237  0.289184  0.460729  1
  H  H23  1  0.071763  0.339967  0.467842  1
  H  H24  1  0.428237  0.085000  0.432128  1
  H  H25  1  0.571763  0.554086  0.567872  1
  H  H26  1  0.928237  0.299118  0.532158  1
  H  H27  1  0.071763  0.349902  0.539271  1
  H  H28  1  0.428237  0.094934  0.503557  1
  H  H29  1  0.571763  0.054086  0.567872  1
  H  H30  1  0.928237  0.799118  0.532158  1
  H  H31  1  0.071763  0.849902  0.539271  1
  H  H32  1  0.428237  0.594934  0.503557  1
  H  H33  1  0.571763  0.064020  0.639300  1
  H  H34  1  0.928237  0.809053  0.603586  1
  H  H35  1  0.071763  0.859836  0.610700  1
  H  H36  1  0.428237  0.604869  0.574985  1
  H  H37  1  0.571763  0.564020  0.639300  1
  H  H38  1  0.928237  0.309053  0.603586  1
  H  H39  1  0.071763  0.359836  0.610700  1
  H  H40  1  0.428237  0.104869  0.574985  1
  H  H41  1  0.571763  0.573955  0.710729  1
  H  H42  1  0.928237  0.318988  0.675015  1
  H  H43  1  0.071763  0.369771  0.682128  1
  H  H44  1  0.428237  0.114804  0.646414  1
  H  H45  1  0.571763  0.073955  0.710729  1
  H  H46  1  0.928237  0.818988  0.675015  1
  H  H47  1  0.071763  0.869771  0.682128  1
  H  H48  1  0.428237  0.614804  0.646414  1
