# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.27814289
_cell_length_b   2.26115834
_cell_length_c   51.97129890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.25153288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H11
_cell_volume   233.578276038
_cell_formula_units_Z   5
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  1.005812  0.008226  0.247416  1
  H  H2  1  0.005812  1.008226  0.289258  1
  H  H3  1  1.005812  0.008226  0.331009  1
  H  H4  1  0.005812  1.008226  0.372808  1
  H  H5  1  0.005812  1.008226  0.414611  1
  H  H6  1  1.005812  0.008226  0.456413  1
  H  H7  1  0.005812  1.008226  0.498215  1
  H  H8  1  1.005812  0.008226  0.540017  1
  H  H9  1  0.005812  1.008226  0.581817  1
  H  H10  1  1.005812  0.008226  0.623567  1
  H  H11  1  0.005812  1.008226  0.665409  1
