# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19594573
_cell_length_b   11.85005155
_cell_length_c   50.85834599
_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   H96
_cell_volume   1926.11346456
_cell_formula_units_Z   48
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  0.009030  0.598669  0.265404  1
  H  H2  1  0.009030  0.210010  0.285071  1
  H  H3  1  0.009030  0.819475  0.303231  1
  H  H4  1  0.509030  0.319641  0.303593  1
  H  H5  1  0.509030  0.097316  0.265515  1
  H  H6  1  0.509030  0.710120  0.284676  1
  H  H7  1  0.509030  0.514664  0.294240  1
  H  H8  1  0.509030  0.294220  0.256660  1
  H  H9  1  0.509030  0.901086  0.274231  1
  H  H10  1  0.009030  0.406624  0.275527  1
  H  H11  1  0.009030  0.014198  0.293970  1
  H  H12  1  0.009030  0.624045  0.312692  1
  H  H13  1  0.009030  0.428848  0.321891  1
  H  H14  1  0.009030  0.038703  0.340191  1
  H  H15  1  0.009030  0.648416  0.358757  1
  H  H16  1  0.509030  0.148118  0.358728  1
  H  H17  1  0.509030  0.929238  0.321567  1
  H  H18  1  0.509030  0.538686  0.340281  1
  H  H19  1  0.509030  0.343310  0.349546  1
  H  H20  1  0.509030  0.124518  0.312545  1
  H  H21  1  0.509030  0.734090  0.331052  1
  H  H22  1  0.009030  0.233605  0.331072  1
  H  H23  1  0.009030  0.843685  0.349379  1
  H  H24  1  0.009030  0.453086  0.368028  1
  H  H25  1  0.009030  0.257744  0.377264  1
  H  H26  1  1.009030  0.867473  0.395718  1
  H  H27  1  0.009030  0.476951  0.414288  1
  H  H28  1  0.509030  0.976965  0.414249  1
  H  H29  1  0.509030  0.757980  0.377230  1
  H  H30  1  0.509030  0.367376  0.395780  1
  H  H31  1  0.509030  0.172132  0.405011  1
  H  H32  1  0.509030  0.953062  0.367903  1
  H  H33  1  0.509030  0.562684  0.386521  1
  H  H34  1  0.009030  0.062576  0.386480  1
  H  H35  1  1.009030  0.672234  0.405021  1
  H  H36  1  0.009030  0.281691  0.423535  1
  H  H37  1  0.009030  0.086489  0.432779  1
  H  H38  1  1.009030  0.696072  0.451304  1
  H  H39  1  0.009030  0.305591  0.469816  1
  H  H40  1  0.509030  0.805608  0.469817  1
  H  H41  1  0.509030  0.586518  0.432795  1
  H  H42  1  0.509030  0.196033  0.451299  1
  H  H43  1  0.509030  0.000822  0.460553  1
  H  H44  1  0.509030  0.781777  0.423522  1
  H  H45  1  0.509030  0.391262  0.442051  1
  H  H46  1  1.009030  0.891298  0.442033  1
  H  H47  1  0.009030  0.500828  0.460565  1
  H  H48  1  1.009030  0.110363  0.479070  1
  H  H49  1  1.009030  0.915137  0.488332  1
  H  H50  1  0.009030  0.524712  0.506849  1
  H  H51  1  1.009030  0.134227  0.525354  1
  H  H52  1  0.509030  0.634256  0.525369  1
  H  H53  1  0.509030  0.415154  0.488332  1
  H  H54  1  0.509030  0.024673  0.506844  1
  H  H55  1  0.509030  0.829447  0.516115  1
  H  H56  1  0.509030  0.610382  0.479079  1
  H  H57  1  0.509030  0.219917  0.497584  1
  H  H58  1  1.009030  0.719923  0.497596  1
  H  H59  1  0.009030  0.329483  0.516097  1
  H  H60  1  1.009030  0.938967  0.534627  1
  H  H61  1  1.009030  0.743780  0.543900  1
  H  H62  1  0.009030  0.353369  0.562369  1
  H  H63  1  1.009030  0.962765  0.580918  1
  H  H64  1  0.509030  0.463001  0.580884  1
  H  H65  1  0.509030  0.243794  0.543861  1
  H  H66  1  0.509030  0.853271  0.562431  1
  H  H67  1  0.509030  0.658169  0.571668  1
  H  H68  1  0.509030  0.439053  0.534613  1
  H  H69  1  0.509030  0.048510  0.553128  1
  H  H70  1  0.009030  0.548613  0.553137  1
  H  H71  1  0.009030  0.158061  0.571628  1
  H  H72  1  1.009030  0.767682  0.590246  1
  H  H73  1  0.009030  0.572627  0.599420  1
  H  H74  1  0.009030  0.182059  0.617868  1
  H  H75  1  1.009030  0.791507  0.636582  1
  H  H76  1  0.509030  0.291897  0.636257  1
  H  H77  1  0.509030  0.072328  0.599391  1
  H  H78  1  0.509030  0.682042  0.617957  1
  H  H79  1  0.509030  0.487140  0.627077  1
  H  H80  1  0.509030  0.267658  0.590121  1
  H  H81  1  0.509030  0.877060  0.608770  1
  H  H82  1  0.009030  0.377435  0.608602  1
  H  H83  1  1.009030  0.986654  0.627096  1
  H  H84  1  0.009030  0.596227  0.645603  1
  H  H85  1  0.009030  0.401104  0.654556  1
  H  H86  1  1.009030  0.010624  0.673473  1
  H  H87  1  0.009030  0.623429  0.692633  1
  H  H88  1  0.509030  0.122076  0.692745  1
  H  H89  1  0.509030  0.901270  0.654918  1
  H  H90  1  0.509030  0.510734  0.673077  1
  H  H91  1  0.509030  0.314121  0.682622  1
  H  H92  1  0.509030  0.096699  0.645456  1
  H  H93  1  0.509030  0.706547  0.664179  1
  H  H94  1  1.009030  0.206080  0.663909  1
  H  H95  1  0.009030  0.819658  0.683918  1
  H  H96  1  0.009030  0.426525  0.701489  1
