# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13119765
_cell_length_b   6.39216003
_cell_length_c   46.29199838
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.66363206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H14
_cell_volume   1390.68473749
_cell_formula_units_Z   7
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  0.410770  0.821540  0.317708  1
  H  H2  1  0.708778  0.417555  0.307292  1
  H  H3  1  0.622725  0.245449  0.380208  1
  H  H4  1  0.920732  0.841465  0.369792  1
  H  H5  1  0.834679  0.669359  0.442708  1
  H  H6  1  0.132687  0.265374  0.432292  1
  H  H7  1  0.046634  0.093268  0.505208  1
  H  H8  1  0.344642  0.689283  0.494792  1
  H  H9  1  0.258589  0.517178  0.567708  1
  H  H10  1  0.556596  0.113193  0.557292  1
  H  H11  1  0.470544  0.941087  0.630208  1
  H  H12  1  0.768551  0.537102  0.619792  1
  H  H13  1  0.682498  0.364997  0.692708  1
  H  H14  1  0.980506  0.961012  0.682292  1
