# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93874692
_cell_length_b   9.09301727
_cell_length_c   49.17847672
_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   H80
_cell_volume   2208.51249271
_cell_formula_units_Z   40
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  0.549794  0.019405  0.351177  1
  H  H2  1  0.549794  0.661156  0.309510  1
  H  H3  1  0.049794  0.891699  0.336323  1
  H  H4  1  0.049794  0.533450  0.294657  1
  H  H5  1  0.950206  0.198529  0.372010  1
  H  H6  1  0.950206  0.840281  0.330343  1
  H  H7  1  0.450206  0.070823  0.357157  1
  H  H8  1  0.450206  0.712574  0.315490  1
  H  H9  1  0.049794  0.161156  0.309510  1
  H  H10  1  0.049794  0.519405  0.351177  1
  H  H11  1  0.549794  0.033450  0.294657  1
  H  H12  1  0.549794  0.391699  0.336323  1
  H  H13  1  0.450206  0.340281  0.330343  1
  H  H14  1  0.450206  0.698529  0.372010  1
  H  H15  1  0.950206  0.212574  0.315490  1
  H  H16  1  0.950206  0.570823  0.357157  1
  H  H17  1  0.549794  0.735903  0.434510  1
  H  H18  1  0.549794  0.377654  0.392843  1
  H  H19  1  0.049794  0.608196  0.419657  1
  H  H20  1  0.049794  0.249948  0.377990  1
  H  H21  1  0.950206  0.915027  0.455343  1
  H  H22  1  0.950206  0.556778  0.413677  1
  H  H23  1  0.450206  0.787321  0.440490  1
  H  H24  1  0.450206  0.429072  0.398823  1
  H  H25  1  0.049794  0.877654  0.392843  1
  H  H26  1  0.049794  0.235903  0.434510  1
  H  H27  1  0.549794  0.749948  0.377990  1
  H  H28  1  0.549794  0.108196  0.419657  1
  H  H29  1  0.450206  0.056778  0.413677  1
  H  H30  1  0.450206  0.415027  0.455343  1
  H  H31  1  0.950206  0.929072  0.398823  1
  H  H32  1  0.950206  0.287321  0.440490  1
  H  H33  1  0.549794  0.452400  0.517843  1
  H  H34  1  0.549794  0.094151  0.476177  1
  H  H35  1  0.049794  0.324694  0.502990  1
  H  H36  1  0.049794  0.966445  0.461323  1
  H  H37  1  0.950206  0.631524  0.538677  1
  H  H38  1  0.950206  0.273276  0.497010  1
  H  H39  1  0.450206  0.503818  0.523823  1
  H  H40  1  0.450206  0.145569  0.482157  1
  H  H41  1  0.049794  0.594151  0.476177  1
  H  H42  1  0.049794  0.952400  0.517843  1
  H  H43  1  0.549794  0.466445  0.461323  1
  H  H44  1  0.549794  0.824694  0.502990  1
  H  H45  1  0.450206  0.773276  0.497010  1
  H  H46  1  0.450206  0.131524  0.538677  1
  H  H47  1  0.950206  0.645569  0.482157  1
  H  H48  1  0.950206  0.003818  0.523823  1
  H  H49  1  0.549794  0.168897  0.601177  1
  H  H50  1  0.549794  0.810649  0.559510  1
  H  H51  1  0.049794  0.041191  0.586323  1
  H  H52  1  0.049794  0.682942  0.544657  1
  H  H53  1  0.950206  0.348022  0.622010  1
  H  H54  1  0.950206  0.989773  0.580343  1
  H  H55  1  0.450206  0.220316  0.607157  1
  H  H56  1  0.450206  0.862067  0.565490  1
  H  H57  1  0.049794  0.310649  0.559510  1
  H  H58  1  0.049794  0.668897  0.601177  1
  H  H59  1  0.549794  0.182942  0.544657  1
  H  H60  1  0.549794  0.541191  0.586323  1
  H  H61  1  0.450206  0.489773  0.580343  1
  H  H62  1  0.450206  0.848022  0.622010  1
  H  H63  1  0.950206  0.362067  0.565490  1
  H  H64  1  0.950206  0.720316  0.607157  1
  H  H65  1  0.549794  0.885395  0.684510  1
  H  H66  1  0.549794  0.527146  0.642843  1
  H  H67  1  0.049794  0.757689  0.669657  1
  H  H68  1  0.049794  0.399440  0.627990  1
  H  H69  1  0.950206  0.064519  0.705343  1
  H  H70  1  0.950206  0.706271  0.663677  1
  H  H71  1  0.450206  0.936813  0.690490  1
  H  H72  1  0.450206  0.578564  0.648823  1
  H  H73  1  0.049794  0.027146  0.642843  1
  H  H74  1  0.049794  0.385395  0.684510  1
  H  H75  1  0.549794  0.899440  0.627990  1
  H  H76  1  0.549794  0.257689  0.669657  1
  H  H77  1  0.450206  0.206271  0.663677  1
  H  H78  1  0.450206  0.564519  0.705343  1
  H  H79  1  0.950206  0.078564  0.648823  1
  H  H80  1  0.950206  0.436813  0.690490  1
