# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97367986
_cell_length_b   4.47508641
_cell_length_c   47.89834561
_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   H44
_cell_volume   851.755240063
_cell_formula_units_Z   22
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  0.329838  0.844923  0.297940  1
  H  H2  1  0.834399  0.975675  0.276556  1
  H  H3  1  0.175761  0.344923  0.297940  1
  H  H4  1  0.671200  0.475675  0.276556  1
  H  H5  1  0.331958  0.578659  0.340004  1
  H  H6  1  0.830184  0.710214  0.319413  1
  H  H7  1  0.173641  0.078659  0.340004  1
  H  H8  1  0.675415  0.210214  0.319413  1
  H  H9  1  0.334591  0.315003  0.381637  1
  H  H10  1  0.833795  0.446250  0.360934  1
  H  H11  1  0.171007  0.815003  0.381637  1
  H  H12  1  0.671803  0.946250  0.360934  1
  H  H13  1  0.335038  0.051807  0.423251  1
  H  H14  1  0.834962  0.183256  0.402494  1
  H  H15  1  0.170561  0.551807  0.423251  1
  H  H16  1  0.670637  0.683256  0.402494  1
  H  H17  1  0.335081  0.788630  0.464852  1
  H  H18  1  0.835084  0.920157  0.444075  1
  H  H19  1  0.170517  0.288630  0.464852  1
  H  H20  1  0.670515  0.420157  0.444075  1
  H  H21  1  0.335089  0.525473  0.506445  1
  H  H22  1  0.835089  0.657014  0.485662  1
  H  H23  1  0.170509  0.025473  0.506445  1
  H  H24  1  0.670509  0.157014  0.485662  1
  H  H25  1  0.335084  0.262331  0.548033  1
  H  H26  1  0.835081  0.393857  0.527256  1
  H  H27  1  0.170515  0.762331  0.548033  1
  H  H28  1  0.670517  0.893857  0.527256  1
  H  H29  1  0.334962  0.999231  0.589614  1
  H  H30  1  0.835038  0.130681  0.568857  1
  H  H31  1  0.170637  0.499231  0.589614  1
  H  H32  1  0.670561  0.630681  0.568857  1
  H  H33  1  0.333795  0.736238  0.631173  1
  H  H34  1  0.834591  0.867484  0.610471  1
  H  H35  1  0.171803  0.236238  0.631173  1
  H  H36  1  0.671007  0.367484  0.610471  1
  H  H37  1  0.330184  0.472274  0.672694  1
  H  H38  1  0.831958  0.603829  0.652104  1
  H  H39  1  0.175415  0.972274  0.672694  1
  H  H40  1  0.673641  0.103829  0.652104  1
  H  H41  1  0.334399  0.206812  0.715552  1
  H  H42  1  0.829838  0.337564  0.694168  1
  H  H43  1  0.171200  0.706812  0.715552  1
  H  H44  1  0.675761  0.837564  0.694168  1
