# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   3.90039811
_cell_length_c   50.84552800
_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   H8
_cell_volume   669.886564004
_cell_formula_units_Z   4
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  0.333333  0.666667  0.343750  1
  H  H2  1  0.666667  0.333333  0.281250  1
  H  H3  1  0.333333  0.666667  0.468750  1
  H  H4  1  0.666667  0.333333  0.406250  1
  H  H5  1  0.333333  0.666667  0.593750  1
  H  H6  1  0.666667  0.333333  0.531250  1
  H  H7  1  0.333333  0.666667  0.718750  1
  H  H8  1  0.666667  0.333333  0.656250  1
