# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.28734200
_cell_length_b   7.60944700
_cell_length_c   47.82270160
_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   832.373618308
_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  0.974844  0.742361  0.323702  1
  H  H2  1  0.974844  1.005961  0.301833  1
  H  H3  1  0.974844  0.478108  0.345704  1
  H  H4  1  0.474844  0.505961  0.301833  1
  H  H5  1  0.474844  0.978108  0.345704  1
  H  H6  1  0.474844  0.242361  0.323702  1
  H  H7  1  0.974844  0.948790  0.388531  1
  H  H8  1  0.974844  0.213475  0.366899  1
  H  H9  1  0.974844  0.684232  0.410023  1
  H  H10  1  0.474844  0.713475  0.366899  1
  H  H11  1  0.474844  0.184232  0.410023  1
  H  H12  1  0.474844  0.448790  0.388531  1
  H  H13  1  0.974844  0.155207  0.453184  1
  H  H14  1  0.974844  0.419712  0.431630  1
  H  H15  1  0.974844  0.890700  0.474766  1
  H  H16  1  0.474844  0.919712  0.431630  1
  H  H17  1  0.474844  0.390700  0.474766  1
  H  H18  1  0.474844  0.655207  0.453184  1
  H  H19  1  0.974844  0.361685  0.517907  1
  H  H20  1  0.974844  0.626193  0.496334  1
  H  H21  1  0.974844  0.097178  0.539481  1
  H  H22  1  0.474844  0.126193  0.496334  1
  H  H23  1  0.474844  0.597178  0.539481  1
  H  H24  1  0.474844  0.861685  0.517907  1
  H  H25  1  0.974844  0.568164  0.582631  1
  H  H26  1  0.974844  0.832671  0.561049  1
  H  H27  1  0.974844  0.303659  0.604185  1
  H  H28  1  0.474844  0.332671  0.561049  1
  H  H29  1  0.474844  0.803659  0.604185  1
  H  H30  1  0.474844  1.068164  0.582631  1
  H  H31  1  0.974844  0.774581  0.647283  1
  H  H32  1  0.974844  1.039139  0.625791  1
  H  H33  1  0.974844  0.509896  0.668916  1
  H  H34  1  0.474844  0.539139  0.625791  1
  H  H35  1  0.474844  1.009896  0.668916  1
  H  H36  1  0.474844  0.274581  0.647283  1
  H  H37  1  0.974844  0.981010  0.712112  1
  H  H38  1  0.974844  0.245263  0.690111  1
  H  H39  1  0.974844  0.717410  0.733982  1
  H  H40  1  0.474844  0.745263  0.690111  1
  H  H41  1  0.474844  0.217410  0.733982  1
  H  H42  1  0.474844  0.481010  0.712112  1
