# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27778449
_cell_length_b   4.48944902
_cell_length_c   49.03879507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.86900360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H24
_cell_volume   484.678867435
_cell_formula_units_Z   12
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  0.061196  0.606671  0.285505  1
  H  H2  1  0.322207  0.129035  0.281457  1
  H  H3  1  0.449211  0.383872  0.322988  1
  H  H4  1  0.711753  0.908754  0.319014  1
  H  H5  1  0.837502  0.161246  0.359971  1
  H  H6  1  0.099968  0.685976  0.355842  1
  H  H7  1  0.225836  0.938630  0.397027  1
  H  H8  1  0.488430  0.463670  0.392893  1
  H  H9  1  0.614218  0.716157  0.434099  1
  H  H10  1  0.876818  0.241203  0.429959  1
  H  H11  1  1.002601  0.493685  0.471166  1
  H  H12  1  0.265207  0.018741  0.467026  1
  H  H13  1  0.390986  0.271216  0.508233  1
  H  H14  1  0.653592  0.796273  0.504093  1
  H  H15  1  0.779375  0.048755  0.545300  1
  H  H16  1  0.041974  0.573800  0.541160  1
  H  H17  1  0.167763  0.826287  0.582366  1
  H  H18  1  0.430356  0.351328  0.578231  1
  H  H19  1  0.556224  0.603982  0.619416  1
  H  H20  1  0.818691  0.128711  0.615288  1
  H  H21  1  0.944439  0.381203  0.656245  1
  H  H22  1  0.206982  0.906085  0.652270  1
  H  H23  1  0.333986  0.160922  0.693801  1
  H  H24  1  0.594996  0.683287  0.689754  1
