# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.34409312
_cell_length_b   8.38100879
_cell_length_c   59.73923644
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.29120954
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H56
_cell_volume   1150.91304753
_cell_formula_units_Z   28
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  0.282807  0.240959  0.192704  1
  H  H2  1  0.262439  0.018139  0.169020  1
  H  H3  1  0.601123  0.762080  0.176726  1
  H  H4  1  0.947814  0.501557  0.184631  1
  H  H5  1  0.733045  0.200142  0.226487  1
  H  H6  1  0.671765  -0.021297  0.202618  1
  H  H7  1  1.027530  0.720518  0.210280  1
  H  H8  1  0.383957  0.459891  0.218332  1
  H  H9  1  0.174525  0.157672  0.259949  1
  H  H10  1  1.100880  0.937974  0.235511  1
  H  H11  1  0.458225  0.677745  0.243457  1
  H  H12  1  0.819522  0.417705  0.251673  1
  H  H13  1  0.610578  0.115256  0.293363  1
  H  H14  1  0.534406  0.896101  0.268643  1
  H  H15  1  0.892465  0.635898  0.276787  1
  H  H16  1  0.253468  0.375630  0.285059  1
  H  H17  1  1.045030  0.073122  0.326753  1
  H  H18  1  0.968670  0.854284  0.301896  1
  H  H19  1  0.326917  0.593933  0.310135  1
  H  H20  1  0.686946  0.333527  0.318433  1
  H  H21  1  0.479033  0.031054  0.360123  1
  H  H22  1  0.402946  0.812369  0.335198  1
  H  H23  1  0.761223  0.551933  0.343485  1
  H  H24  1  1.120621  0.291501  0.351799  1
  H  H25  1  0.912942  -0.010976  0.393480  1
  H  H26  1  0.837039  0.770397  0.368526  1
  H  H27  1  0.195392  0.509943  0.376838  1
  H  H28  1  0.554509  0.249487  0.385159  1
  H  H29  1  0.346900  0.947029  0.426826  1
  H  H30  1  0.270997  0.728402  0.401872  1
  H  H31  1  0.629430  0.467940  0.410193  1
  H  H32  1  0.988547  0.207484  0.418514  1
  H  H33  1  0.780993  0.905058  0.460154  1
  H  H34  1  0.704907  0.686373  0.435229  1
  H  H35  1  1.063318  0.425926  0.443553  1
  H  H36  1  0.422717  0.165494  0.451867  1
  H  H37  1  0.215270  0.863143  0.493456  1
  H  H38  1  1.138909  0.644305  0.468599  1
  H  H39  1  0.496993  0.383900  0.476919  1
  H  H40  1  0.857023  0.123494  0.485217  1
  H  H41  1  0.649533  0.821325  0.526709  1
  H  H42  1  0.573362  0.602170  0.501989  1
  H  H43  1  0.930471  0.341797  0.510293  1
  H  H44  1  0.291475  0.081529  0.518565  1
  H  H45  1  1.083060  0.779452  0.559841  1
  H  H46  1  1.009414  0.559755  0.535403  1
  H  H47  1  0.364417  0.299721  0.543679  1
  H  H48  1  0.725715  0.039682  0.551895  1
  H  H49  1  0.512175  0.738724  0.592734  1
  H  H50  1  0.450895  0.517285  0.568865  1
  H  H51  1  0.799983  0.257536  0.577020  1
  H  H52  1  0.156410  -0.003092  0.585072  1
  H  H53  1  0.921500  0.699288  0.626332  1
  H  H54  1  0.901133  0.476468  0.602648  1
  H  H55  1  0.236125  0.215870  0.610721  1
  H  H56  1  0.582816  0.955346  0.618626  1
