# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30381144
_cell_length_b   2.30381144
_cell_length_c   67.67613467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H16
_cell_volume   311.071367974
_cell_formula_units_Z   8
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  0.086513  1.173025  0.128039  1
  H  H2  1  0.753179  0.839692  0.156208  1
  H  H3  1  0.419846  0.506358  0.183862  1
  H  H4  1  0.086513  1.173025  0.211649  1
  H  H5  1  0.753179  0.839692  0.239444  1
  H  H6  1  0.419846  0.506358  0.267237  1
  H  H7  1  0.086513  1.173025  0.295031  1
  H  H8  1  0.753179  0.839692  0.322824  1
  H  H9  1  0.419846  0.506358  0.350617  1
  H  H10  1  0.086513  1.173025  0.378410  1
  H  H11  1  0.753179  0.839692  0.406204  1
  H  H12  1  0.419846  0.506358  0.433997  1
  H  H13  1  0.086513  1.173025  0.461792  1
  H  H14  1  0.753179  0.839692  0.489579  1
  H  H15  1  0.419846  0.506358  0.517233  1
  H  H16  1  1.086513  1.173025  0.545402  1
