# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.47546661
_cell_length_b   16.47546661
_cell_length_c   51.83884547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H90
_cell_volume   14000.6553375
_cell_formula_units_Z   45
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  0.972222  0.305556  0.361111  1
  H  H2  1  0.305556  0.972222  0.361111  1
  H  H3  1  0.366162  0.366162  0.300505  1
  H  H4  1  0.729798  0.729798  0.270202  1
  H  H5  1  0.699495  0.032828  0.300505  1
  H  H6  1  0.669192  0.335859  0.330808  1
  H  H7  1  0.032828  0.699495  0.300505  1
  H  H8  1  0.002525  0.002525  0.330808  1
  H  H9  1  0.335859  0.669192  0.330808  1
  H  H10  1  0.154040  0.487374  0.345960  1
  H  H11  1  0.487374  0.154040  0.345960  1
  H  H12  1  0.547980  0.547980  0.285354  1
  H  H13  1  0.820707  0.820707  0.345960  1
  H  H14  1  0.881313  0.214646  0.285354  1
  H  H15  1  0.851010  0.517677  0.315657  1
  H  H16  1  0.214646  0.881313  0.285354  1
  H  H17  1  0.184343  0.184343  0.315657  1
  H  H18  1  0.517677  0.851010  0.315657  1
  H  H19  1  0.881313  0.214646  0.452020  1
  H  H20  1  0.214646  0.881313  0.452020  1
  H  H21  1  0.275253  0.275253  0.391414  1
  H  H22  1  0.638889  0.638889  0.361111  1
  H  H23  1  0.608586  0.941919  0.391414  1
  H  H24  1  0.578283  0.244949  0.421717  1
  H  H25  1  0.941919  0.608586  0.391414  1
  H  H26  1  0.911616  0.911616  0.421717  1
  H  H27  1  0.244949  0.578283  0.421717  1
  H  H28  1  0.063131  0.396465  0.436869  1
  H  H29  1  0.396465  0.063131  0.436869  1
  H  H30  1  0.457071  0.457071  0.376263  1
  H  H31  1  0.729798  0.729798  0.436869  1
  H  H32  1  0.790404  0.123737  0.376263  1
  H  H33  1  0.760101  0.426768  0.406566  1
  H  H34  1  0.123737  0.790404  0.376263  1
  H  H35  1  0.093434  0.093434  0.406566  1
  H  H36  1  0.426768  0.760101  0.406566  1
  H  H37  1  0.790404  0.123737  0.542929  1
  H  H38  1  0.123737  0.790404  0.542929  1
  H  H39  1  0.184343  0.184343  0.482323  1
  H  H40  1  0.547980  0.547980  0.452020  1
  H  H41  1  0.517677  0.851010  0.482323  1
  H  H42  1  0.487374  0.154040  0.512626  1
  H  H43  1  0.851010  0.517677  0.482323  1
  H  H44  1  0.820707  0.820707  0.512626  1
  H  H45  1  0.154040  0.487374  0.512626  1
  H  H46  1  0.972222  0.305556  0.527778  1
  H  H47  1  0.305556  0.972222  0.527778  1
  H  H48  1  0.366162  0.366162  0.467172  1
  H  H49  1  0.638889  0.638889  0.527778  1
  H  H50  1  0.699495  0.032828  0.467172  1
  H  H51  1  0.669192  0.335859  0.497475  1
  H  H52  1  0.032828  0.699495  0.467172  1
  H  H53  1  0.002525  0.002525  0.497475  1
  H  H54  1  0.335859  0.669192  0.497475  1
  H  H55  1  0.699495  0.032828  0.633838  1
  H  H56  1  0.032828  0.699495  0.633838  1
  H  H57  1  0.093434  0.093434  0.573232  1
  H  H58  1  0.457071  0.457071  0.542929  1
  H  H59  1  0.426768  0.760101  0.573232  1
  H  H60  1  0.396465  0.063131  0.603535  1
  H  H61  1  0.760101  0.426768  0.573232  1
  H  H62  1  0.729798  0.729798  0.603535  1
  H  H63  1  0.063131  0.396465  0.603535  1
  H  H64  1  0.881313  0.214646  0.618687  1
  H  H65  1  0.214646  0.881313  0.618687  1
  H  H66  1  0.275253  0.275253  0.558081  1
  H  H67  1  0.547980  0.547980  0.618687  1
  H  H68  1  0.608586  0.941919  0.558081  1
  H  H69  1  0.578283  0.244949  0.588384  1
  H  H70  1  0.941919  0.608586  0.558081  1
  H  H71  1  0.911616  0.911616  0.588384  1
  H  H72  1  0.244949  0.578283  0.588384  1
  H  H73  1  0.608586  0.941919  0.724747  1
  H  H74  1  0.941919  0.608586  0.724747  1
  H  H75  1  0.002525  0.002525  0.664141  1
  H  H76  1  0.366162  0.366162  0.633838  1
  H  H77  1  0.335859  0.669192  0.664141  1
  H  H78  1  0.305556  0.972222  0.694444  1
  H  H79  1  0.669192  0.335859  0.664141  1
  H  H80  1  0.638889  0.638889  0.694444  1
  H  H81  1  0.972222  0.305556  0.694444  1
  H  H82  1  0.790404  0.123737  0.709596  1
  H  H83  1  0.123737  0.790404  0.709596  1
  H  H84  1  0.184343  0.184343  0.648990  1
  H  H85  1  0.457071  0.457071  0.709596  1
  H  H86  1  0.517677  0.851010  0.648990  1
  H  H87  1  0.487374  0.154040  0.679293  1
  H  H88  1  0.851010  0.517677  0.648990  1
  H  H89  1  0.820707  0.820707  0.679293  1
  H  H90  1  0.154040  0.487374  0.679293  1
