# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   1.06615731
_cell_length_b   2.85378036
_cell_length_c   49.70818476
_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   H9
_cell_volume   151.241068731
_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  0.000000  0.073391  0.300000  1
  H  H2  1  0.000000  0.585622  0.350000  1
  H  H3  1  0.000000  0.097854  0.400000  1
  H  H4  1  0.000000  0.610086  0.450000  1
  H  H5  1  0.000000  0.122318  0.500000  1
  H  H6  1  0.000000  0.634549  0.550000  1
  H  H7  1  0.000000  0.146781  0.600000  1
  H  H8  1  0.000000  0.659013  0.650000  1
  H  H9  1  0.000000  0.171245  0.700000  1
