# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27686418
_cell_length_b   9.51271387
_cell_length_c   42.77967139
_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   H45
_cell_volume   926.571637846
_cell_formula_units_Z   22
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  0.534083  0.621836  0.348458  1
  H  H2  1  0.534083  0.208107  0.347364  1
  H  H3  1  0.034083  0.845277  0.334581  1
  H  H4  1  0.034083  0.782463  0.385340  1
  H  H5  1  0.034083  0.404693  0.371293  1
  H  H6  1  0.534083  0.993462  0.371108  1
  H  H7  1  0.034083  0.969880  0.419163  1
  H  H8  1  0.534083  0.580234  0.399833  1
  H  H9  1  0.034083  0.184778  0.395786  1
  H  H10  1  0.534083  0.155179  0.444073  1
  H  H11  1  0.534083  0.762709  0.433546  1
  H  H12  1  0.534083  0.366886  0.420863  1
  H  H13  1  0.034083  0.339857  0.469439  1
  H  H14  1  0.534083  0.942497  0.467688  1
  H  H15  1  0.034083  0.553362  0.446997  1
  H  H16  1  0.534083  0.525592  0.494968  1
  H  H17  1  0.034083  0.128113  0.492487  1
  H  H18  1  0.034083  0.733827  0.481501  1
  H  H19  1  0.534083  0.704744  0.529650  1
  H  H20  1  0.534083  0.313040  0.517935  1
  H  H21  1  0.034083  0.914248  0.515747  1
  H  H22  1  0.534083  0.885784  0.563270  1
  H  H23  1  0.034083  0.497619  0.543608  1
  H  H24  1  0.534083  0.101166  0.540640  1
  H  H25  1  0.034083  0.073122  0.588356  1
  H  H26  1  0.034083  0.674323  0.578375  1
  H  H27  1  0.034083  0.286988  0.566602  1
  H  H28  1  0.534083  0.255480  0.614777  1
  H  H29  1  0.034083  0.856397  0.609930  1
  H  H30  1  0.534083  0.471758  0.593594  1
  H  H31  1  0.034083  0.439378  0.642424  1
  H  H32  1  0.534083  0.034582  0.635819  1
  H  H33  1  0.534083  0.655948  0.629676  1
  H  H34  1  0.034083  0.613487  0.678675  1
  H  H35  1  0.034083  0.215701  0.662038  1
  H  H36  1  0.034083  0.838822  0.660937  1
  H  H37  1  0.534083  0.798412  0.707240  1
  H  H38  1  0.534083  0.395104  0.691893  1
  H  H39  1  0.534083  1.020534  0.688006  1
  H  H40  1  0.034083  0.977447  0.735775  1
  H  H41  1  0.534083  0.579399  0.726399  1
  H  H42  1  0.034083  0.197905  0.713754  1
  H  H43  1  0.534083  0.165905  0.761346  1
  H  H44  1  0.034083  0.756812  0.755422  1
  H  H45  1  0.034083  0.383985  0.745141  1
