# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29166944
_cell_length_b   6.19316486
_cell_length_c   47.89908032
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.18944731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   669.094710131
_cell_formula_units_Z   16
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  0.534796  0.882353  0.287572  1
  H  H2  1  0.722045  0.252937  0.299530  1
  H  H3  1  0.898021  0.612167  0.313396  1
  H  H4  1  0.087941  0.985723  0.327722  1
  H  H5  1  0.268843  0.350382  0.340481  1
  H  H6  1  0.453807  0.720551  0.353179  1
  H  H7  1  0.640916  0.091758  0.366875  1
  H  H8  1  0.826136  0.463155  0.379526  1
  H  H9  1  0.010982  0.832674  0.392375  1
  H  H10  1  0.198408  0.205243  0.405607  1
  H  H11  1  0.383492  0.575759  0.418535  1
  H  H12  1  0.569149  0.946376  0.431479  1
  H  H13  1  0.755405  0.317590  0.444607  1
  H  H14  1  0.940915  0.688385  0.457590  1
  H  H15  1  0.126618  0.059095  0.470591  1
  H  H16  1  0.312636  0.430194  0.483647  1
  H  H17  1  0.498321  0.801016  0.496648  1
  H  H18  1  0.684005  0.171837  0.509649  1
  H  H19  1  0.870024  0.542936  0.522704  1
  H  H20  1  0.055726  0.913646  0.535705  1
  H  H21  1  0.241236  0.284441  0.548688  1
  H  H22  1  0.427492  0.655655  0.561817  1
  H  H23  1  0.613149  0.026272  0.574760  1
  H  H24  1  0.798233  0.396788  0.587688  1
  H  H25  1  0.985659  0.769357  0.600920  1
  H  H26  1  0.170505  0.138876  0.613770  1
  H  H27  1  0.355725  0.510273  0.626420  1
  H  H28  1  0.542834  0.881480  0.640116  1
  H  H29  1  0.727798  0.251649  0.652815  1
  H  H30  1  0.908700  0.616309  0.665573  1
  H  H31  1  0.098620  0.989865  0.679900  1
  H  H32  1  0.274596  0.349094  0.693765  1
  H  H33  1  0.461845  0.719679  0.705723  1
