# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29252914
_cell_length_b   6.20835101
_cell_length_c   47.85226492
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.85779976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H33
_cell_volume   670.430326026
_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  0.761582  0.787738  0.297789  1
  H  H2  1  0.937226  0.428486  0.311535  1
  H  H3  1  0.574719  0.157803  0.285836  1
  H  H4  1  0.309007  0.689463  0.338673  1
  H  H5  1  0.493911  0.319238  0.351302  1
  H  H6  1  0.128231  0.054254  0.325946  1
  H  H7  1  0.866974  0.575890  0.377675  1
  H  H8  1  0.051875  0.206348  0.390490  1
  H  H9  1  0.681796  0.947522  0.365048  1
  H  H10  1  0.424814  0.462845  0.416675  1
  H  H11  1  0.610604  0.092156  0.429609  1
  H  H12  1  0.239770  0.833459  0.403745  1
  H  H13  1  0.982702  0.349823  0.455728  1
  H  H14  1  0.168566  0.978982  0.468725  1
  H  H15  1  0.797124  0.720749  0.442747  1
  H  H16  1  0.540605  0.236738  0.494779  1
  H  H17  1  0.726425  0.865773  0.507777  1
  H  H18  1  0.354785  0.607704  0.481782  1
  H  H19  1  0.098508  0.123654  0.533831  1
  H  H20  1  0.284086  0.752728  0.546812  1
  H  H21  1  0.912643  0.494494  0.520834  1
  H  H22  1  0.656395  1.010632  0.572883  1
  H  H23  1  0.841440  0.640018  0.585814  1
  H  H24  1  0.470606  0.381321  0.559949  1
  H  H25  1  0.214236  0.897587  0.611884  1
  H  H26  1  0.399414  0.525955  0.624511  1
  H  H27  1  0.029334  0.267129  0.599068  1
  H  H28  1  0.772203  0.784014  0.650886  1
  H  H29  1  0.952979  0.419223  0.663613  1
  H  H30  1  0.587298  0.154239  0.638257  1
  H  H31  1  0.319627  0.685739  0.691770  1
  H  H32  1  0.506491  0.315674  0.703723  1
  H  H33  1  0.143984  0.044991  0.678024  1
