# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90039811
_cell_length_b   6.35569100
_cell_length_c   47.28981384
_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   H12
_cell_volume   1172.30148716
_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  0.500000  0.750000  0.309524  1
  H  H2  1  0.000000  0.250000  0.333333  1
  H  H3  1  0.000000  0.750000  0.380952  1
  H  H4  1  0.500000  0.250000  0.404762  1
  H  H5  1  0.500000  0.750000  0.452381  1
  H  H6  1  0.000000  0.250000  0.476190  1
  H  H7  1  0.000000  0.750000  0.523810  1
  H  H8  1  0.500000  0.250000  0.547619  1
  H  H9  1  0.500000  0.750000  0.595238  1
  H  H10  1  0.000000  0.250000  0.619048  1
  H  H11  1  0.000000  0.750000  0.666667  1
  H  H12  1  0.500000  0.250000  0.690476  1
