# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.26585479
_cell_length_b   5.72531358
_cell_length_c   44.03571416
_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   H27
_cell_volume   571.26339554
_cell_formula_units_Z   13
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  0.676933  0.467463  0.333451  1
  H  H2  1  0.676933  0.776748  0.365018  1
  H  H3  1  0.176933  0.116549  0.348681  1
  H  H4  1  0.176933  0.431947  0.381020  1
  H  H5  1  0.176933  0.747837  0.412012  1
  H  H6  1  0.676933  0.091225  0.396435  1
  H  H7  1  0.676933  0.405296  0.427788  1
  H  H8  1  0.676933  0.719860  0.459105  1
  H  H9  1  0.176933  0.062450  0.443397  1
  H  H10  1  0.176933  0.376922  0.474827  1
  H  H11  1  0.176933  0.691378  0.506211  1
  H  H12  1  0.676933  1.034185  0.490509  1
  H  H13  1  0.676933  0.348554  0.521921  1
  H  H14  1  0.676933  0.662970  0.553311  1
  H  H15  1  0.176933  1.005762  0.537616  1
  H  H16  1  0.176933  0.320146  0.569022  1
  H  H17  1  0.176933  0.634602  0.600405  1
  H  H18  1  0.676933  0.977339  0.584723  1
  H  H19  1  0.676933  0.291665  0.616127  1
  H  H20  1  0.676933  0.606229  0.647444  1
  H  H21  1  0.176933  0.949075  0.631835  1
  H  H22  1  0.176933  0.263688  0.663220  1
  H  H23  1  0.176933  0.579578  0.694212  1
  H  H24  1  0.676933  0.920300  0.678797  1
  H  H25  1  0.676933  0.234776  0.710214  1
  H  H26  1  0.676933  0.544061  0.741781  1
  H  H27  1  0.176933  0.894975  0.726551  1
