# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26861274
_cell_length_b   7.61802021
_cell_length_c   49.73808131
_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   H42
_cell_volume   859.59031699
_cell_formula_units_Z   21
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  0.611845  0.755976  0.311201  1
  H  H2  1  0.611845  0.283539  0.268858  1
  H  H3  1  0.611845  0.020092  0.289978  1
  H  H4  1  1.111845  0.520092  0.289978  1
  H  H5  1  1.111845  0.255976  0.311201  1
  H  H6  1  1.111845  0.783539  0.268858  1
  H  H7  1  0.611845  0.962541  0.373327  1
  H  H8  1  0.611845  0.491485  0.331682  1
  H  H9  1  0.611845  0.226948  0.352566  1
  H  H10  1  1.111845  0.726948  0.352566  1
  H  H11  1  1.111845  0.462541  0.373327  1
  H  H12  1  1.111845  -0.008515  0.331682  1
  H  H13  1  0.611845  0.169474  0.435847  1
  H  H14  1  0.611845  0.698177  0.394189  1
  H  H15  1  0.611845  0.433826  0.415006  1
  H  H16  1  1.111845  0.933826  0.415006  1
  H  H17  1  1.111845  0.669474  0.435847  1
  H  H18  1  1.111845  0.198177  0.394189  1
  H  H19  1  0.611845  0.376416  0.498343  1
  H  H20  1  0.611845  0.905122  0.456676  1
  H  H21  1  0.611845  0.640769  0.477509  1
  H  H22  1  1.111845  0.140769  0.477509  1
  H  H23  1  1.111845  0.876416  0.498343  1
  H  H24  1  1.111845  0.405122  0.456676  1
  H  H25  1  0.611845  0.583361  0.560829  1
  H  H26  1  0.611845  0.112064  0.519171  1
  H  H27  1  0.611845  0.847712  0.540012  1
  H  H28  1  1.111845  0.347712  0.540012  1
  H  H29  1  1.111845  0.083361  0.560829  1
  H  H30  1  1.111845  0.612064  0.519171  1
  H  H31  1  0.611845  0.790053  0.623337  1
  H  H32  1  0.611845  0.318997  0.581691  1
  H  H33  1  0.611845  0.054590  0.602452  1
  H  H34  1  1.111845  0.554590  0.602452  1
  H  H35  1  1.111845  0.290053  0.623337  1
  H  H36  1  1.111845  0.818997  0.581691  1
  H  H37  1  0.611845  -0.002001  0.686161  1
  H  H38  1  0.611845  0.525562  0.643818  1
  H  H39  1  0.611845  0.261446  0.665041  1
  H  H40  1  1.111845  0.761446  0.665041  1
  H  H41  1  1.111845  0.497999  0.686161  1
  H  H42  1  1.111845  0.025562  0.643818  1
