# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28701331
_cell_length_b   2.28701331
_cell_length_c   57.62658885
_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   H12
_cell_volume   261.030303866
_cell_formula_units_Z   6
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  0.666540  0.666414  0.411914  1
  H  H2  1  0.333207  0.333081  0.340542  1
  H  H3  1  0.333207  0.333081  0.302836  1
  H  H4  1  0.666540  0.666414  0.374242  1
  H  H5  1  0.666540  0.666414  0.554802  1
  H  H6  1  0.333207  0.333081  0.483358  1
  H  H7  1  0.333207  0.333081  0.445684  1
  H  H8  1  0.666540  0.666414  0.517128  1
  H  H9  1  0.666540  0.666414  0.697649  1
  H  H10  1  0.333207  0.333081  0.626243  1
  H  H11  1  0.333207  0.333081  0.588572  1
  H  H12  1  0.666540  0.666414  0.659943  1
