# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71296906
_cell_length_b   3.71296907
_cell_length_c   47.12283183
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H28
_cell_volume   562.606407665
_cell_formula_units_Z   14
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  0.417228  0.417790  0.298951  1
  H  H2  1  0.083895  0.084456  0.281514  1
  H  H3  1  0.083895  0.084456  0.330767  1
  H  H4  1  0.750562  0.751123  0.313427  1
  H  H5  1  0.750562  0.751123  0.362134  1
  H  H6  1  0.417228  0.417790  0.346889  1
  H  H7  1  0.417228  0.417790  0.394989  1
  H  H8  1  0.083895  0.084456  0.378894  1
  H  H9  1  0.083895  0.084456  0.427205  1
  H  H10  1  0.750562  0.751123  0.410759  1
  H  H11  1  0.750562  0.751123  0.459278  1
  H  H12  1  0.417228  0.417790  0.443310  1
  H  H13  1  0.417228  0.417790  0.491702  1
  H  H14  1  0.083895  0.084456  0.475542  1
  H  H15  1  0.083895  0.084456  0.523884  1
  H  H16  1  0.750562  0.751123  0.507723  1
  H  H17  1  0.750562  0.751123  0.556116  1
  H  H18  1  0.417228  0.417790  0.540148  1
  H  H19  1  0.417228  0.417790  0.588667  1
  H  H20  1  0.083895  0.084456  0.572220  1
  H  H21  1  0.083895  0.084456  0.620532  1
  H  H22  1  0.750561  0.751123  0.604437  1
  H  H23  1  0.750561  0.751123  0.652537  1
  H  H24  1  0.417228  0.417790  0.637292  1
  H  H25  1  0.417228  0.417790  0.685998  1
  H  H26  1  0.083895  0.084456  0.668659  1
  H  H27  1  0.083895  0.084457  0.717912  1
  H  H28  1  0.750561  0.751123  0.700475  1
