# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27817613
_cell_length_b   3.69979513
_cell_length_c   42.76573983
_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   H18
_cell_volume   360.463224101
_cell_formula_units_Z   9
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  0.076060  0.319480  0.327841  1
  H  H2  1  0.508871  0.819480  0.355224  1
  H  H3  1  0.912408  0.319480  0.379527  1
  H  H4  1  0.194407  0.819480  0.407220  1
  H  H5  1  0.644447  0.319480  0.429148  1
  H  H6  1  0.659714  0.819480  0.458031  1
  H  H7  1  0.154670  0.319480  0.477717  1
  H  H8  1  0.154776  0.819480  0.507318  1
  H  H9  1  0.654824  0.319480  0.526626  1
  H  H10  1  0.654540  0.819480  0.556246  1
  H  H11  1  0.159582  0.319480  0.575875  1
  H  H12  1  0.145113  0.819480  0.604848  1
  H  H13  1  0.691773  0.319480  0.626678  1
  H  H14  1  0.411466  0.819480  0.654690  1
  H  H15  1  0.021660  0.319480  0.678393  1
  H  H16  1  0.668142  0.819480  0.704831  1
  H  H17  1  0.270086  0.319480  0.730495  1
  H  H18  1  0.826459  0.819480  0.756835  1
