# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60150628
_cell_length_b   4.60150628
_cell_length_c   46.97914202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H44
_cell_volume   861.461258097
_cell_formula_units_Z   22
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  0.999979  0.499986  0.299568  1
  H  H2  1  0.999979  0.999986  0.299568  1
  H  H3  1  0.499979  0.999986  0.299568  1
  H  H4  1  0.499979  0.499986  0.299568  1
  H  H5  1  0.333313  0.166653  0.340089  1
  H  H6  1  0.333313  0.666653  0.340089  1
  H  H7  1  0.833313  0.666653  0.340089  1
  H  H8  1  0.833313  0.166653  0.340089  1
  H  H9  1  0.666646  0.833319  0.379874  1
  H  H10  1  0.666646  0.333319  0.379874  1
  H  H11  1  0.166646  0.333319  0.379874  1
  H  H12  1  0.166646  0.833319  0.379874  1
  H  H13  1  0.999979  0.499986  0.419852  1
  H  H14  1  0.999979  0.999986  0.419852  1
  H  H15  1  0.499979  0.999986  0.419852  1
  H  H16  1  0.499979  0.499986  0.419852  1
  H  H17  1  0.333313  0.166653  0.459839  1
  H  H18  1  0.333313  0.666653  0.459839  1
  H  H19  1  0.833313  0.666653  0.459839  1
  H  H20  1  0.833313  0.166653  0.459839  1
  H  H21  1  0.666646  0.833319  0.499824  1
  H  H22  1  0.666646  0.333319  0.499824  1
  H  H23  1  0.166646  0.333319  0.499824  1
  H  H24  1  0.166646  0.833319  0.499824  1
  H  H25  1  0.999979  0.499986  0.539809  1
  H  H26  1  0.999979  0.999986  0.539809  1
  H  H27  1  0.499979  0.999986  0.539809  1
  H  H28  1  0.499979  0.499986  0.539809  1
  H  H29  1  0.333313  0.166653  0.579797  1
  H  H30  1  0.333313  0.666653  0.579797  1
  H  H31  1  0.833313  0.666653  0.579797  1
  H  H32  1  0.833313  0.166653  0.579797  1
  H  H33  1  0.666646  0.833319  0.619775  1
  H  H34  1  0.666646  0.333319  0.619775  1
  H  H35  1  0.166646  0.333319  0.619775  1
  H  H36  1  0.166646  0.833319  0.619775  1
  H  H37  1  0.999979  0.499986  0.659559  1
  H  H38  1  0.999979  0.999986  0.659559  1
  H  H39  1  0.499979  0.999986  0.659559  1
  H  H40  1  0.499979  0.499986  0.659559  1
  H  H41  1  0.333313  0.166653  0.700080  1
  H  H42  1  0.333313  0.666653  0.700080  1
  H  H43  1  0.833313  0.666653  0.700080  1
  H  H44  1  0.833313  0.166653  0.700080  1
