# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23521414
_cell_length_b   4.56887445
_cell_length_c   48.61638439
_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   H88
_cell_volume   1829.2235218
_cell_formula_units_Z   44
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  0.100857  0.392318  0.277943  1
  H  H2  1  0.100857  0.892318  0.277943  1
  H  H3  1  0.833578  0.392318  0.277943  1
  H  H4  1  0.833578  0.892318  0.277943  1
  H  H5  1  0.600068  0.142318  0.291985  1
  H  H6  1  0.600068  0.642318  0.291985  1
  H  H7  1  0.334367  0.142318  0.291985  1
  H  H8  1  0.334367  0.642318  0.291985  1
  H  H9  1  0.098767  0.142318  0.319329  1
  H  H10  1  0.098767  0.642318  0.319329  1
  H  H11  1  0.835669  0.142318  0.319329  1
  H  H12  1  0.835669  0.642318  0.319329  1
  H  H13  1  0.599011  0.892318  0.333084  1
  H  H14  1  0.599011  0.392318  0.333084  1
  H  H15  1  0.335424  0.892318  0.333084  1
  H  H16  1  0.335424  0.392318  0.333084  1
  H  H17  1  0.098918  0.892318  0.359995  1
  H  H18  1  0.098918  0.392318  0.359995  1
  H  H19  1  0.835518  0.892318  0.359995  1
  H  H20  1  0.835518  0.392318  0.359995  1
  H  H21  1  0.599055  0.642318  0.373716  1
  H  H22  1  0.599055  0.142318  0.373716  1
  H  H23  1  0.335380  0.642318  0.373716  1
  H  H24  1  0.335380  0.142318  0.373716  1
  H  H25  1  0.099037  0.642318  0.400826  1
  H  H26  1  0.099037  0.142318  0.400826  1
  H  H27  1  0.835399  0.642318  0.400826  1
  H  H28  1  0.835399  0.142318  0.400826  1
  H  H29  1  0.599053  0.392318  0.414510  1
  H  H30  1  0.599053  0.892318  0.414510  1
  H  H31  1  0.335383  0.392318  0.414510  1
  H  H32  1  0.335383  0.892318  0.414510  1
  H  H33  1  0.099020  0.392318  0.441640  1
  H  H34  1  0.099020  0.892318  0.441640  1
  H  H35  1  0.835416  0.392318  0.441640  1
  H  H36  1  0.835416  0.892318  0.441640  1
  H  H37  1  0.599035  0.142318  0.455303  1
  H  H38  1  0.599035  0.642318  0.455303  1
  H  H39  1  0.335400  0.142318  0.455303  1
  H  H40  1  0.335400  0.642318  0.455303  1
  H  H41  1  0.099029  0.142318  0.482446  1
  H  H42  1  0.099029  0.642318  0.482446  1
  H  H43  1  0.835407  0.142318  0.482446  1
  H  H44  1  0.835407  0.642318  0.482446  1
  H  H45  1  0.599029  0.892318  0.496103  1
  H  H46  1  0.599029  0.392318  0.496103  1
  H  H47  1  0.335407  0.892318  0.496103  1
  H  H48  1  0.335407  0.392318  0.496103  1
  H  H49  1  0.099035  0.892318  0.523245  1
  H  H50  1  0.099035  0.392318  0.523245  1
  H  H51  1  0.835400  0.892318  0.523245  1
  H  H52  1  0.835400  0.392318  0.523245  1
  H  H53  1  0.599020  0.642318  0.536908  1
  H  H54  1  0.599020  0.142318  0.536908  1
  H  H55  1  0.335416  0.642318  0.536908  1
  H  H56  1  0.335416  0.142318  0.536908  1
  H  H57  1  0.099053  0.642318  0.564038  1
  H  H58  1  0.099053  0.142318  0.564038  1
  H  H59  1  0.835383  0.642318  0.564038  1
  H  H60  1  0.835383  0.142318  0.564038  1
  H  H61  1  0.599037  0.392318  0.577722  1
  H  H62  1  0.599037  0.892318  0.577722  1
  H  H63  1  0.335399  0.392318  0.577722  1
  H  H64  1  0.335399  0.892318  0.577722  1
  H  H65  1  0.099055  0.392318  0.604832  1
  H  H66  1  0.099055  0.892318  0.604832  1
  H  H67  1  0.835380  0.392318  0.604832  1
  H  H68  1  0.835380  0.892318  0.604832  1
  H  H69  1  0.598918  0.142318  0.618553  1
  H  H70  1  0.598918  0.642318  0.618553  1
  H  H71  1  0.335518  0.142318  0.618553  1
  H  H72  1  0.335518  0.642318  0.618553  1
  H  H73  1  0.099011  0.142318  0.645464  1
  H  H74  1  0.099011  0.642318  0.645464  1
  H  H75  1  0.835424  0.142318  0.645464  1
  H  H76  1  0.835424  0.642318  0.645464  1
  H  H77  1  0.598767  0.892318  0.659219  1
  H  H78  1  0.598767  0.392318  0.659219  1
  H  H79  1  0.335669  0.892318  0.659219  1
  H  H80  1  0.335669  0.392318  0.659219  1
  H  H81  1  0.100068  0.892318  0.686563  1
  H  H82  1  0.100068  0.392318  0.686563  1
  H  H83  1  0.834367  0.892318  0.686563  1
  H  H84  1  0.834367  0.392318  0.686563  1
  H  H85  1  0.600857  0.642318  0.700606  1
  H  H86  1  0.600857  0.142318  0.700606  1
  H  H87  1  0.333578  0.642318  0.700606  1
  H  H88  1  0.333578  0.142318  0.700606  1
