# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30326295
_cell_length_b   2.30326295
_cell_length_c   50.06423515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H12
_cell_volume   230.00922904
_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  0.333355  0.666681  0.288513  1
  H  H2  1  0.666689  0.333348  0.327114  1
  H  H3  1  0.333355  0.666681  0.365462  1
  H  H4  1  0.666689  0.333348  0.403923  1
  H  H5  1  0.333355  0.666681  0.442394  1
  H  H6  1  0.666689  0.333348  0.480864  1
  H  H7  1  0.333355  0.666681  0.519334  1
  H  H8  1  0.666689  0.333348  0.557804  1
  H  H9  1  0.333355  0.666681  0.596275  1
  H  H10  1  0.666689  0.333348  0.634736  1
  H  H11  1  0.333355  0.666681  0.673084  1
  H  H12  1  0.666689  0.333348  0.711685  1
